SpectraBase Spectrum ID |
GLVnGvNkaGw |
Name |
Methyl 2-(2-chloro-5-hydroxy-4-methoxyphenyl)acetate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
230.034586530 u |
Formula |
C10H11ClO4 |
InChI |
InChI=1S/C10H11ClO4/c1-14-9-5-7(11)6(3-8(9)12)4-10(13)15-2/h3,5,12H,4H2,1-2H3 |
InChIKey |
INXVVOXVSXZVJT-UHFFFAOYSA-N |
Molecular Weight |
230.647 g/mol |
SMILES |
C1(=CC(=C(C=C1OC)Cl)CC(OC)=O)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973336 |