| SpectraBase Compound ID | GGnCq2AcvVY |
|---|---|
| InChI | InChI=1S/C8H7NO3S/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3 |
| InChIKey | HVUISGPOCMQVNR-UHFFFAOYSA-N |
| Mol Weight | 197.21 g/mol |
| Molecular Formula | C8H7NO3S |
| Exact Mass | 197.014664 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5WStSHhRzNe |
|---|---|
| Name | Benzenecarbothioic acid, 4-nitro-, S-methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.014664260 u |
| Formula | C8H7NO3S |
| InChI | InChI=1S/C8H7NO3S/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3 |
| InChIKey | HVUISGPOCMQVNR-UHFFFAOYSA-N |
| Molecular Weight | 197.208 g/mol |
| SMILES | C(=O)(C1=CC=C(C=C1)N(=O)=O)SC |