| SpectraBase Compound ID | Ewu3GSnncGt |
|---|---|
| InChI | InChI=1S/C16H14O3S2/c1-20-13-9-5-3-7-11(13)15(17)19-16(18)12-8-4-6-10-14(12)21-2/h3-10H,1-2H3 |
| InChIKey | XMXDDBIWASGZCG-UHFFFAOYSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C16H14O3S2 |
| Exact Mass | 318.038437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4wGavWzj33R |
|---|---|
| Name | 2-(Methylthio)benzoic acid anhydride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.038436656 u |
| Formula | C16H14O3S2 |
| InChI | InChI=1S/C16H14O3S2/c1-20-13-9-5-3-7-11(13)15(17)19-16(18)12-8-4-6-10-14(12)21-2/h3-10H,1-2H3 |
| InChIKey | XMXDDBIWASGZCG-UHFFFAOYSA-N |
| Molecular Weight | 318.405 g/mol |
| SMILES | C1(=CC=CC=C1C(OC(C1=C(C=CC=C1)SC)=O)=O)SC |