SpectraBase Spectrum ID |
waM988ThRK |
Name |
3-Chloro-2-methylphenol, o-isopropyloxycarbonyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
228.055321976 u |
Formula |
C11H13ClO3 |
InChI |
InChI=1S/C11H13ClO3/c1-7(2)14-11(13)15-10-6-4-5-9(12)8(10)3/h4-7H,1-3H3 |
InChIKey |
CVZJESSFUAZETD-UHFFFAOYSA-N |
Molecular Weight |
228.675 g/mol |
SMILES |
CC1=C(Cl)C=CC=C1OC(OC(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94496 |