| SpectraBase Spectrum ID |
38AvGGVcKCN |
| Name |
(S)-(E)-7-Chloro-2-phenyl-3-heptene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.101878247 u |
| Formula |
C13H17Cl |
| InChI |
InChI=1S/C13H17Cl/c1-12(8-4-3-7-11-14)13-9-5-2-6-10-13/h2,4-6,8-10,12H,3,7,11H2,1H3/b8-4+/t12-/m0/s1 |
| InChIKey |
SQHYYIPXQJQYOJ-GXWOQWCDSA-N |
| Molecular Weight |
208.732 g/mol |
| SMILES |
C(\C=C\[C@@](C=1C=CC=CC1)(C)[H])CCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974769 |
