SpectraBase Spectrum ID |
GOMDUXaBWOO |
Name |
2,3-Dihydro-1-benzofuran-5-ylacetic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
178.062994179 u |
Formula |
C10H10O3 |
InChI |
InChI=1S/C10H10O3/c11-10(12)6-7-1-2-9-8(5-7)3-4-13-9/h1-2,5H,3-4,6H2,(H,11,12) |
InChIKey |
LALSYIKKTXUSLG-UHFFFAOYSA-N |
Molecular Weight |
178.187 g/mol |
SMILES |
C1(=CC=C2C(=C1)CCO2)CC(O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956305 |