![[(4-Methylbenzyl)thio]acetic acid](/api/spectrum/ADbpWfhT7lg/structure.png?h=300&w=458 "[(4-Methylbenzyl)thio]acetic acid")
| SpectraBase Compound ID | ADZiGm0sjxu |
|---|---|
| InChI | InChI=1S/C10H12O2S/c1-8-2-4-9(5-3-8)6-13-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12) |
| InChIKey | UOIMPBCYXTWNOF-UHFFFAOYSA-N |
| Mol Weight | 196.26 g/mol |
| Molecular Formula | C10H12O2S |
| Exact Mass | 196.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ADbpWfhT7lg |
|---|---|
| Name | [(4-Methylbenzyl)thio]acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.055800798 u |
| Formula | C10H12O2S |
| InChI | InChI=1S/C10H12O2S/c1-8-2-4-9(5-3-8)6-13-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12) |
| InChIKey | UOIMPBCYXTWNOF-UHFFFAOYSA-N |
| Molecular Weight | 196.264 g/mol |
| SMILES | CC1=CC=C(C=C1)CSCC(O)=O |