SpectraBase Spectrum ID |
6YaSLQuIr5G |
Name |
Benzene, 1-[(2,3-dichloro-2-propenyl)oxy]-4-methyl- |
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/c1-8-2-4-10(5-3-8)13-7-9(12)6-11/h2-6H,7H2,1H3/b9-6- |
InChIKey |
BTHBKVZSUAZECZ-TWGQIWQCSA-N |
Molecular Weight |
217.095 g/mol |
SMILES |
C(\C(=C\Cl)Cl)OC=1C=CC(C)=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943249 |