| SpectraBase Compound ID | 8w68LPfJc9t |
|---|---|
| InChI | InChI=1S/C9H10O2S/c1-11-9(10)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3 |
| InChIKey | UQGNSVPCBCFZCE-UHFFFAOYSA-N |
| Mol Weight | 182.24 g/mol |
| Molecular Formula | C9H10O2S |
| Exact Mass | 182.040151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5RRyzte3ip2 |
|---|---|
| Name | BENZOIC ACID, 4-(METHYLTHIO)- METHYL ESTER, |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H10O2S |
| InChI | InChI=1S/C9H10O2S/c1-11-9(10)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3 |
| InChIKey | UQGNSVPCBCFZCE-UHFFFAOYSA-N |
| Instrument Name | VARIAN XL-200 |
| NMR Standard | TMS |
| Solvent | CDCL3 |