| SpectraBase Compound ID | AOOqYxjD4eK |
|---|---|
| InChI | InChI=1S/C15H19NO3S/c17-14(16-11-6-2-1-3-7-11)10-20-13-9-5-4-8-12(13)15(18)19/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17)(H,18,19) |
| InChIKey | RBEKVRXCSVGTIQ-UHFFFAOYSA-N |
| Mol Weight | 293.38 g/mol |
| Molecular Formula | C15H19NO3S |
| Exact Mass | 293.108565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EQhAZXBX3Yy |
|---|---|
| Name | 2-Cyclohexylcarbamoylmethylsulfanylbenzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.108564647 u |
| Formula | C15H19NO3S |
| InChI | InChI=1S/C15H19NO3S/c17-14(16-11-6-2-1-3-7-11)10-20-13-9-5-4-8-12(13)15(18)19/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17)(H,18,19) |
| InChIKey | RBEKVRXCSVGTIQ-UHFFFAOYSA-N |
| Molecular Weight | 293.381 g/mol |
| SMILES | C1(C(=O)O)=C(SCC(NC2CCCCC2)=O)C=CC=C1 |