![[(1E)-1-benzylidenepentyl]sulfanylbenzene](/api/spectrum/5kxb8Xhss0r/structure.png?h=300&w=458 "[(1E)-1-benzylidenepentyl]sulfanylbenzene")
| SpectraBase Compound ID | FhAhqnFeRPJ |
|---|---|
| InChI | InChI=1S/C18H20S/c1-2-3-12-18(15-16-10-6-4-7-11-16)19-17-13-8-5-9-14-17/h4-11,13-15H,2-3,12H2,1H3/b18-15+ |
| InChIKey | XEYIOCNDZKRKNU-OBGWFSINSA-N |
| Mol Weight | 268.42 g/mol |
| Molecular Formula | C18H20S |
| Exact Mass | 268.128572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5kxb8Xhss0r |
|---|---|
| Name | [(1E)-1-Benzylidenepentyl]sulfanylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.128571818 u |
| Formula | C18H20S |
| InChI | InChI=1S/C18H20S/c1-2-3-12-18(15-16-10-6-4-7-11-16)19-17-13-8-5-9-14-17/h4-11,13-15H,2-3,12H2,1H3/b18-15+ |
| InChIKey | XEYIOCNDZKRKNU-OBGWFSINSA-N |
| Molecular Weight | 268.418 g/mol |
| SMILES | C1(\C=C/(SC=2C=CC=CC2)CCCC)=CC=CC=C1 |