| SpectraBase Spectrum ID |
IP68V3eAEEB |
| Name |
5-[(E)-alpha-Chlorobenzyliden]-6,6-diethylbicyclo[2.2.1]hept-2-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.133178376 u |
| Formula |
C18H21Cl |
| InChI |
InChI=1S/C18H21Cl/c1-3-18(4-2)15-11-10-14(12-15)16(18)17(19)13-8-6-5-7-9-13/h5-11,14-15H,3-4,12H2,1-2H3/b17-16+/t14-,15+/m0/s1 |
| InChIKey |
PJVMZGDAZHLJNS-LKGOISKRSA-N |
| Molecular Weight |
272.819 g/mol |
| SMILES |
C=1[C@]2(C[C@@](C1)(C(\C2=C\(C1=CC=CC=C1)Cl)(CC)CC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888089 |
![5-[(E)-alpha-Chlorobenzyliden]-6,6-diethylbicyclo[2.2.1]hept-2-ene](/api/spectrum/IP68V3eAEEB/structure.png?h=300&w=458 "5-[(E)-alpha-Chlorobenzyliden]-6,6-diethylbicyclo[2.2.1]hept-2-ene")
