Chemaxon · Schema

CalculatorsStructureRequestNmrRequest

Json structure that contains the structure and the needed parameters.

CompanyCheminformaticsChemistryDrug DiscoveryLife SciencesMolecular ModelingSoftware Development Kits

Properties

Name Type Description
coupled boolean Coupled/decoupled spectrum.
frequency number The NMR measurement frequency.
implicitHydrogenMode boolean The NMR implicit hydrogen mode.
inputFormat string the input format and options
nucleus string The NMR active nucleus (H1/13C).
outputFormat string The output format and options.
resolution number The sampling resolution for exporting x-y point pairs of the NMR spectrum.
structure string the molecule string
unit string The NMR spectrum unit (ppm/Hz).
View JSON Schema on GitHub

JSON Schema

chemaxon-calculators-structure-request-nmr-request-schema.json Raw ↑
{
  "$schema": "https://json-schema.org/draft/2020-12/schema",
  "$id": "https://artifacts.apis.io/chemaxon/json-schema/chemaxon-calculators-structure-request-nmr-request-schema.json",
  "title": "CalculatorsStructureRequestNmrRequest",
  "description": "Json structure that contains the structure and the needed parameters.",
  "x-generated": "2026-11-03",
  "x-method": "derived",
  "x-generator": "derive-json-schema.py",
  "x-source": "openapi/chemaxon-calculations-openapi.yml#/components/schemas/CalculatorsStructureRequestNmrRequest",
  "properties": {
    "coupled": {
      "type": "boolean",
      "default": true,
      "description": "Coupled/decoupled spectrum."
    },
    "frequency": {
      "type": "number",
      "format": "double",
      "default": 500.0,
      "description": "The NMR measurement frequency."
    },
    "implicitHydrogenMode": {
      "type": "boolean",
      "default": true,
      "description": "The NMR implicit hydrogen mode."
    },
    "inputFormat": {
      "type": "string",
      "description": "the input format and options"
    },
    "nucleus": {
      "type": "string",
      "default": "H1",
      "description": "The NMR active nucleus (H1/13C).",
      "enum": [
        "C13",
        "H1"
      ]
    },
    "outputFormat": {
      "type": "string",
      "default": "mrv",
      "description": "The output format and options."
    },
    "resolution": {
      "type": "number",
      "format": "double",
      "default": 0.1,
      "description": "The sampling resolution for exporting x-y point pairs of the NMR spectrum."
    },
    "structure": {
      "type": "string",
      "description": "the molecule string"
    },
    "unit": {
      "type": "string",
      "default": "ppm",
      "description": "The NMR spectrum unit (ppm/Hz).",
      "enum": [
        "ppm",
        "Hz"
      ]
    }
  },
  "required": [
    "structure"
  ]
}

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