![4-[(4-Methoxyphenyl)sulfanyl]-1-butanol](/api/spectrum/BTwmDLFBkp7/structure.png?h=300&w=458 "4-[(4-Methoxyphenyl)sulfanyl]-1-butanol")
| SpectraBase Compound ID | 3EwEAeI1wR4 |
|---|---|
| InChI | InChI=1S/C11H16O2S/c1-13-10-4-6-11(7-5-10)14-9-3-2-8-12/h4-7,12H,2-3,8-9H2,1H3 |
| InChIKey | JCDLODPNZVUCLH-UHFFFAOYSA-N |
| Mol Weight | 212.31 g/mol |
| Molecular Formula | C11H16O2S |
| Exact Mass | 212.087101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BTwmDLFBkp7 |
|---|---|
| Name | 4-[(4-Methoxyphenyl)sulfanyl]-1-butanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.087100927 u |
| Formula | C11H16O2S |
| InChI | InChI=1S/C11H16O2S/c1-13-10-4-6-11(7-5-10)14-9-3-2-8-12/h4-7,12H,2-3,8-9H2,1H3 |
| InChIKey | JCDLODPNZVUCLH-UHFFFAOYSA-N |
| Molecular Weight | 212.307 g/mol |
| SMILES | OCCCCSC1=CC=C(C=C1)OC |