SpectraBase Spectrum ID |
L1nawpme7xu |
Name |
4-Chloro-3-methylphenol, o-(N-propyloxycarbonyl)- |
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/c1-3-6-14-11(13)15-9-4-5-10(12)8(2)7-9/h4-5,7H,3,6H2,1-2H3 |
InChIKey |
JESJGUKUARWLAH-UHFFFAOYSA-N |
Molecular Weight |
228.675 g/mol |
SMILES |
C1=C(C(=CC=C1OC(OCCC)=O)Cl)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932842 |