| SpectraBase Compound ID | 4ze1m2zyG26 |
|---|---|
| InChI | InChI=1S/C14H18O2S/c1-12(8-6-7-11-14(15)16-2)17-13-9-4-3-5-10-13/h3-5,9-10H,1,6-8,11H2,2H3 |
| InChIKey | VSUJHLJTTLYFDW-UHFFFAOYSA-N |
| Mol Weight | 250.36 g/mol |
| Molecular Formula | C14H18O2S |
| Exact Mass | 250.102751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1rEaCeC4aBo |
|---|---|
| Name | 6-(Phenylthio)-6-heptenoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.102750992 u |
| Formula | C14H18O2S |
| InChI | InChI=1S/C14H18O2S/c1-12(8-6-7-11-14(15)16-2)17-13-9-4-3-5-10-13/h3-5,9-10H,1,6-8,11H2,2H3 |
| InChIKey | VSUJHLJTTLYFDW-UHFFFAOYSA-N |
| Molecular Weight | 250.356 g/mol |
| SMILES | C(=O)(OC)CCCCC(SC=1C=CC=CC1)=C |