| SpectraBase Spectrum ID |
JysxwOh2AaY |
| Name |
Benzene, 1-(1-chloro-2-cyclopropylethenyl)-4-methoxy-, (Z)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.065492738 u |
| Formula |
C12H13ClO |
| InChI |
InChI=1S/C12H13ClO/c1-14-11-6-4-10(5-7-11)12(13)8-9-2-3-9/h4-9H,2-3H2,1H3/b12-8- |
| InChIKey |
SQQYDDXVQJKEPB-WQLSENKSSA-N |
| Molecular Weight |
208.688 g/mol |
| SMILES |
C1(\C=C\(C2=CC=C(C=C2)OC)Cl)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928733 |