| SpectraBase Compound ID | 4NKfZkfveCt |
|---|---|
| InChI | InChI=1S/C9H7NO2S/c1-12-9(11)7-3-2-4-8(5-7)10-6-13/h2-5H,1H3 |
| InChIKey | NQXFZEJJHPUMMF-UHFFFAOYSA-N |
| Mol Weight | 193.22 g/mol |
| Molecular Formula | C9H7NO2S |
| Exact Mass | 193.01975 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ATTtrXg2hBi |
|---|---|
| Name | BENZOIC ACID, 3-ISOTHIOCYANATO- METHYL ESTER, |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H7NO2S |
| InChI | InChI=1S/C9H7NO2S/c1-12-9(11)7-3-2-4-8(5-7)10-6-13/h2-5H,1H3 |
| InChIKey | NQXFZEJJHPUMMF-UHFFFAOYSA-N |
| Instrument Name | VARIAN XL-200 |
| NMR Standard | TMS |
| Solvent | CDCL3 |