SpectraBase Spectrum ID |
Lc4rby9CNS7 |
Name |
Methyl 2-hydroxy-4-methoxybenzoate, acetate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
224.068473481 u |
Formula |
C11H12O5 |
InChI |
InChI=1S/C11H12O5/c1-7(12)16-10-6-8(14-2)4-5-9(10)11(13)15-3/h4-6H,1-3H3 |
InChIKey |
HVPMKAFNQOFPLW-UHFFFAOYSA-N |
Molecular Weight |
224.212 g/mol |
SMILES |
C1(=C(C=C(C=C1)OC)OC(C)=O)C(=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970426 |