SpectraBase Compound ID | 6jYimfHplMy |
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InChI | InChI=1S/C9H9NO3.Na.O/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;;/h1-5H,6H2,(H,10,13)(H,11,12);;/q;+1;/p-1 |
InChIKey | GEWMHXKKRFDZIZ-UHFFFAOYSA-M |
Mol Weight | 217.15576928 g/mol |
Molecular Formula | C9H8NNaO4 |
Exact Mass | 217.035102 g/mol |
SpectraBase Spectrum ID | CDactgMp8tx |
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Name | Sodium hippurate hydrate |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 271640 |
CAS Registry Number | 532-94-5 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C9H8NNaO4 |
InChI | InChI=1S/C9H9NO3.Na.O/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;;/h1-5H,6H2,(H,10,13)(H,11,12);;/q;+1;/p-1 |
InChIKey | GEWMHXKKRFDZIZ-UHFFFAOYSA-M |
Observed nucleus | 13C |
Purity | 99% |
Solvent | DMSO-d6 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Synonyms | Hippuric acid sodium salt hydrate |
Wiley ID | SIAL_13CNMR_004931 |