![1-(5-bromopentylsulfanyl)-4-[(E)-styryl]benzene](/api/spectrum/AFVXRPJLYNU/structure.png?h=300&w=458 "1-(5-bromopentylsulfanyl)-4-[(E)-styryl]benzene")
| SpectraBase Compound ID | 6pbbHweRZuh |
|---|---|
| InChI | InChI=1S/C19H21BrS/c20-15-5-2-6-16-21-19-13-11-18(12-14-19)10-9-17-7-3-1-4-8-17/h1,3-4,7-14H,2,5-6,15-16H2/b10-9+ |
| InChIKey | DLOYJHVTIYWQNC-MDZDMXLPSA-N |
| Mol Weight | 361.34 g/mol |
| Molecular Formula | C19H21BrS |
| Exact Mass | 360.054735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AFVXRPJLYNU |
|---|---|
| Name | 1-(5-Bromopentylsulfanyl)-4-[(E)-styryl]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.054734850 u |
| Formula | C19H21BrS |
| InChI | InChI=1S/C19H21BrS/c20-15-5-2-6-16-21-19-13-11-18(12-14-19)10-9-17-7-3-1-4-8-17/h1,3-4,7-14H,2,5-6,15-16H2/b10-9+ |
| InChIKey | DLOYJHVTIYWQNC-MDZDMXLPSA-N |
| Molecular Weight | 361.341 g/mol |
| SMILES | C1=CC(=CC=C1)\C=C\C1=CC=C(C=C1)SCCCCCBr |