| SpectraBase Spectrum ID |
3FnqDVO5SlR |
| Name |
Benzenemethanol, .alpha.-(1-chloroethenyl)-, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.044757292 u |
| Formula |
C11H11ClO2 |
| InChI |
InChI=1S/C11H11ClO2/c1-8(12)11(14-9(2)13)10-6-4-3-5-7-10/h3-7,11H,1H2,2H3 |
| InChIKey |
YXHGHJTZIBDGJJ-UHFFFAOYSA-N |
| Molecular Weight |
210.660 g/mol |
| SMILES |
C(C(=C)Cl)(OC(=O)C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961185 |
