| SpectraBase Compound ID | HitYPx1aRdd |
|---|---|
| InChI | InChI=1S/C9H10O4S/c1-13-9(10)7-3-5-8(6-4-7)14(2,11)12/h3-6H,1-2H3 |
| InChIKey | GUGXKWUWYBKREL-UHFFFAOYSA-N |
| Mol Weight | 214.23 g/mol |
| Molecular Formula | C9H10O4S |
| Exact Mass | 214.02998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GZYF80wyBBL |
|---|---|
| Name | BENZOIC ACID, 4-(METHYLSULFONYL)- METHYL ESTER, |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H10O4S |
| InChI | InChI=1S/C9H10O4S/c1-13-9(10)7-3-5-8(6-4-7)14(2,11)12/h3-6H,1-2H3 |
| InChIKey | GUGXKWUWYBKREL-UHFFFAOYSA-N |
| Instrument Name | VARIAN XL-200 |
| NMR Standard | TMS |
| Solvent | CDCL3 |