Dataset
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Chemical Info
InChI | InChI=1S/C7H7ClNO2S.Na.3H2O/c1-6-2-4-7(5-3-6)12(10,11)9-8;;;;/h2-5H,1H3;;3*1H2/q-1;+1;;; |
---|---|
SMILES | [Na]N(S(=O)(=O)c1ccc(cc1)C)Cl.O.O.O |
InChI Key | NZYOAGBNMCVQIV-UHFFFAOYSA-N |
Exact Mass | 281.690 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/NZYOAGBNMCVQIV-UHFFFAOYSA-N/CHMO0001148 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/NZYOAGBNMCVQIV-UHFFFAOYSA-N/CHMO0001148 |
Version | |
Author | Sylvia Vanderheiden-Schroen |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:27:28.698202 |
MetadataModified | 2024-09-23T09:26:10.845277 |
MetadataPublished | 2024-08-08 |
Field | Value |
---|---|
Measurement Technique | 1H–13C heteronuclear multiple bond coherence |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
CHLORAMINE-T TRIHYDRATE | rxnorm |
DTXSID6040795 | EPA CompTox Dashboard |
HY-U00087 | MedChemExpress |
CB6157601 | ChemicalBook |
PD099922 | ProbesDrugs |
7080-50-4 | ACToR |
4IU6VSV0EI | FDA SRS |
517414 | PubChem |
SCHEMBL353112 | SureChEMBL |
CHEMBL1591636 | ChEMBL |
25688756 | eMolecules |
6187295 | eMolecules |
The data in this table is sourced from UniChem at EBI. |