| SpectraBase Compound ID | BaXil2nn7Yc |
|---|---|
| InChI | InChI=1S/C11H12O3S/c1-8(10(12)13)7-15-11(14)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13) |
| InChIKey | BCAYPPFBOJCRPN-UHFFFAOYSA-N |
| Mol Weight | 224.27 g/mol |
| Molecular Formula | C11H12O3S |
| Exact Mass | 224.050715 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1QHKfexQCW2 |
|---|---|
| Name | 3-BENZOYLSULFANYL-2-METHYLPROPIONIC ACID |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C11H12O3S |
| InChI | InChI=1S/C11H12O3S/c1-8(10(12)13)7-15-11(14)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13) |
| InChIKey | BCAYPPFBOJCRPN-UHFFFAOYSA-N |
| Molecular Weight | 224.0504 |
| SMILES | OC(=O)C(C)CSC(=O)c1ccccc1 |
| SPLASH | splash10-0a4i-6900000000-16401baf8993c5a0775a |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |