| SpectraBase Compound ID | 70dMiABB7I4 |
|---|---|
| InChI | InChI=1S/C10H14OS/c12-8-4-7-11-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2 |
| InChIKey | ZZSWEBSLXBXTEI-UHFFFAOYSA-N |
| Mol Weight | 182.28 g/mol |
| Molecular Formula | C10H14OS |
| Exact Mass | 182.076536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8KWXmychsma |
|---|---|
| Name | 3-Benzoxypropane-1-thiol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.076536244 u |
| Formula | C10H14OS |
| InChI | InChI=1S/C10H14OS/c12-8-4-7-11-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2 |
| InChIKey | ZZSWEBSLXBXTEI-UHFFFAOYSA-N |
| Molecular Weight | 182.281 g/mol |
| SMILES | C(CCOCC=1C=CC=CC1)S |