![Benzene, 1-methoxy-4-[3-methyl-2-(phenylthio)-1-butenyl]-, (Z)-](/api/spectrum/GiOZY5LqP2v/structure.png?h=300&w=458 "Benzene, 1-methoxy-4-[3-methyl-2-(phenylthio)-1-butenyl]-, (Z)-")
| SpectraBase Compound ID | 7dKiXUPuvav |
|---|---|
| InChI | InChI=1S/C18H20OS/c1-14(2)18(20-17-7-5-4-6-8-17)13-15-9-11-16(19-3)12-10-15/h4-14H,1-3H3/b18-13- |
| InChIKey | NZPQVMVSFBNNDK-AQTBWJFISA-N |
| Mol Weight | 284.42 g/mol |
| Molecular Formula | C18H20OS |
| Exact Mass | 284.123486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GiOZY5LqP2v |
|---|---|
| Name | Benzene, 1-methoxy-4-[3-methyl-2-(phenylthio)-1-butenyl]-, (Z)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.123486437 u |
| Formula | C18H20OS |
| InChI | InChI=1S/C18H20OS/c1-14(2)18(20-17-7-5-4-6-8-17)13-15-9-11-16(19-3)12-10-15/h4-14H,1-3H3/b18-13- |
| InChIKey | NZPQVMVSFBNNDK-AQTBWJFISA-N |
| SMILES | C=1(\C=C\(SC=2C=CC=CC2)C(C)C)C=CC(=CC1)OC |