| SpectraBase Spectrum ID |
FNtZdNXgCGQ |
| Name |
cis/Trans-3-chloro-8-(1,1-dimethyl-2-butinyl)-1-cyclooctene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.133178376 u |
| Formula |
C14H21Cl |
| InChI |
InChI=1S/C14H21Cl/c1-4-11-14(2,3)12-7-5-6-8-13(15)10-9-12/h9-10,12-13H,5-8H2,1-3H3/b10-9- |
| InChIKey |
CZBTWTLHYLOYNI-KTKRTIGZSA-N |
| Molecular Weight |
224.775 g/mol |
| SMILES |
C1(\C=C/C(CCCC1)C(C#CC)(C)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921195 |
