Dataset
13C nuclear magnetic resonance spectroscopy (13C NMR)
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;;; |
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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 |
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DOI | 10.14272/NZYOAGBNMCVQIV-UHFFFAOYSA-N/CHMO0000595 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/NZYOAGBNMCVQIV-UHFFFAOYSA-N/CHMO0000595 |
Version | |
Author | Sylvia Vanderheiden-Schroen |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:27:37.528778 |
MetadataModified | 2024-09-23T09:26:11.360878 |
MetadataPublished | 2024-08-08 |
Field | Value |
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Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
Measurement Variables |
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