| SpectraBase Spectrum ID |
3hJkSZp2Wrc |
| Name |
Clorofene, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.060407357 u |
| Formula |
C15H13ClO2 |
| InChI |
InChI=1S/C15H13ClO2/c1-11(17)18-15-8-7-14(16)10-13(15)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3 |
| InChIKey |
DCEFDSSOWLDAFR-UHFFFAOYSA-N |
| Molecular Weight |
260.720 g/mol |
| SMILES |
C1(Cl)=CC(=C(C=C1)OC(C)=O)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898796 |
