SpectraBase Spectrum ID |
LeeUGG8ybaQ |
Name |
Hydroxy-(3-methoxyphenyl)phenylacetic acid, methyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
272.104858991 u |
Formula |
C16H16O4 |
InChI |
InChI=1S/C16H16O4/c1-19-14-10-6-9-13(11-14)16(18,15(17)20-2)12-7-4-3-5-8-12/h3-11,18H,1-2H3 |
InChIKey |
XSGXVDWCYCXCFO-UHFFFAOYSA-N |
Molecular Weight |
272.300 g/mol |
SMILES |
C(C(=O)OC)(C1=CC=CC=C1)(C1=CC(=CC=C1)OC)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954029 |