![o-[(carbamoylmethyl)thio]benzoic acid](/api/spectrum/8Y92ZVKqHvp/structure.png?h=300&w=458 "o-[(carbamoylmethyl)thio]benzoic acid")
| SpectraBase Compound ID | KQce15AhXrx |
|---|---|
| InChI | InChI=1S/C9H9NO3S/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H2,10,11)(H,12,13) |
| InChIKey | CTLJJQVIQIPRFS-UHFFFAOYSA-N |
| Mol Weight | 211.23 g/mol |
| Molecular Formula | C9H9NO3S |
| Exact Mass | 211.030314 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 8Y92ZVKqHvp |
|---|---|
| Name | o-[(CARBAMOYLMETHYL)THIO]BENZOIC ACID |
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Copyright | Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H9NO3S |
| InChI | InChI=1S/C9H9NO3S/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H2,10,11)(H,12,13) |
| InChIKey | CTLJJQVIQIPRFS-UHFFFAOYSA-N |
| Instrument Name | BRUKER AC-300 |
| Molecular Weight | 211.24 |
| Solvent | DMSO-d6; Reference=TMS; Temperature 297K |