![[(E)-but-2-enyl]sulfanylmethylbenzene](/api/spectrum/81xzad5P61i/structure.png?h=300&w=458 "[(E)-but-2-enyl]sulfanylmethylbenzene")
| SpectraBase Compound ID | CObQs0ra5AC |
|---|---|
| InChI | InChI=1S/C11H14S/c1-2-3-9-12-10-11-7-5-4-6-8-11/h2-8H,9-10H2,1H3/b3-2+ |
| InChIKey | OVOKYVFJXJKBOS-NSCUHMNNSA-N |
| Mol Weight | 178.29 g/mol |
| Molecular Formula | C11H14S |
| Exact Mass | 178.081622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 81xzad5P61i |
|---|---|
| Name | [(E)-but-2-Enyl]sulfanylmethylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.081621625 u |
| Formula | C11H14S |
| InChI | InChI=1S/C11H14S/c1-2-3-9-12-10-11-7-5-4-6-8-11/h2-8H,9-10H2,1H3/b3-2+ |
| InChIKey | OVOKYVFJXJKBOS-NSCUHMNNSA-N |
| Molecular Weight | 178.293 g/mol |
| SMILES | C(SCC=1C=CC=CC1)\C=C\C |