| SpectraBase Spectrum ID |
2k1mzaabmjB |
| Name |
Clorofene, trimethylacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.107357550 u |
| Formula |
C18H19ClO2 |
| InChI |
InChI=1S/C18H19ClO2/c1-18(2,3)17(20)21-16-10-9-15(19)12-14(16)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3 |
| InChIKey |
PILJJRGMAGLVEX-UHFFFAOYSA-N |
| Molecular Weight |
302.801 g/mol |
| SMILES |
C1(Cl)=CC(=C(C=C1)OC(C(C)(C)C)=O)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92683 |
