| SpectraBase Compound ID | 3B5WOeKJaDI |
|---|---|
| InChI | InChI=1S/C14H14OS/c1-15-13-8-5-9-14(10-13)16-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3 |
| InChIKey | FLYKDBVJMFJUQH-UHFFFAOYSA-N |
| Mol Weight | 230.32 g/mol |
| Molecular Formula | C14H14OS |
| Exact Mass | 230.076536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6s34IqanyHF |
|---|---|
| Name | Benzyl 3-methoxyphenyl sulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.076536244 u |
| Formula | C14H14OS |
| InChI | InChI=1S/C14H14OS/c1-15-13-8-5-9-14(10-13)16-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3 |
| InChIKey | FLYKDBVJMFJUQH-UHFFFAOYSA-N |
| Molecular Weight | 230.325 g/mol |
| SMILES | C=1(SCC=2C=CC=CC2)C=C(C=CC1)OC |