SpectraBase Compound ID | Gkys8wMS1S0 |
---|---|
InChI | InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13) |
InChIKey | YKAKNMHEIJUKEX-UHFFFAOYSA-N |
Mol Weight | 193.2 g/mol |
Molecular Formula | C10H11NO3 |
Exact Mass | 193.073893 g/mol |
SpectraBase Spectrum ID | 81rSAHr5Sf0 |
---|---|
Name | 3-Methylhippuric acid |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 328014 |
CAS Registry Number | 27115-49-7 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C10H11NO3 |
InChI | InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13) |
InChIKey | YKAKNMHEIJUKEX-UHFFFAOYSA-N |
Observed nucleus | 1H |
Purity | 98% |
Solvent | DMSO-d6 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Synonyms | N-(3-Methylbenzoyl)glycine; m-Toluric acid |
Wiley ID | SIAL_1HNMR_006470 |