| SpectraBase Compound ID | 2vDNwjolJYN |
|---|---|
| InChI | InChI=1S/C12H14S/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h1,4-6,8-9H,3,7,10-11H2 |
| InChIKey | BFCOFDMEVMHGPH-UHFFFAOYSA-N |
| Mol Weight | 190.3 g/mol |
| Molecular Formula | C12H14S |
| Exact Mass | 190.081622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Nvw4w2bwrN |
|---|---|
| Name | Benzyl pent-1-yn-5-yl sulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.081621625 u |
| Formula | C12H14S |
| InChI | InChI=1S/C12H14S/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h1,4-6,8-9H,3,7,10-11H2 |
| InChIKey | BFCOFDMEVMHGPH-UHFFFAOYSA-N |
| Molecular Weight | 190.304 g/mol |
| SMILES | C(#C)CCCSCC=1C=CC=CC1 |