SpectraBase Spectrum ID |
INiJaEMMb6Z |
Name |
Benzene, 1-chloro-2-[(4-chloro-2-butenyl)oxy]-, (E)-ether, 4-chloro-2-butenyl o-chlorophenyl, (E)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
216.010870341 u |
Formula |
C10H10Cl2O |
InChI |
InChI=1S/C10H10Cl2O/c11-7-3-4-8-13-10-6-2-1-5-9(10)12/h1-6H,7-8H2/b4-3+ |
InChIKey |
KYCZKARPMMUCNI-ONEGZZNKSA-N |
Molecular Weight |
217.095 g/mol |
SMILES |
C1=C(C(=CC=C1)Cl)OC\C=C\CCl |
Spectrum/Structure Validation Score (Raman) |
0.917729 |