| SpectraBase Compound ID | IQZh5bfjyiK |
|---|---|
| InChI | InChI=1S/C10H12S/c1-2-3-9-11-10-7-5-4-6-8-10/h2,4-8H,1,3,9H2 |
| InChIKey | SXDNKCWZMMOUHO-UHFFFAOYSA-N |
| Mol Weight | 164.27 g/mol |
| Molecular Formula | C10H12S |
| Exact Mass | 164.065972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Aq6wYga3DIV |
|---|---|
| Name | (3-Butenylsulfanyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.065971560 u |
| Formula | C10H12S |
| InChI | InChI=1S/C10H12S/c1-2-3-9-11-10-7-5-4-6-8-10/h2,4-8H,1,3,9H2 |
| InChIKey | SXDNKCWZMMOUHO-UHFFFAOYSA-N |
| Molecular Weight | 164.266 g/mol |
| SMILES | C(=C)CCSC=1C=CC=CC1 |