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). |
JSON Schema
{
"$schema": "https://json-schema.org/draft/2020-12/schema",
"$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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