| SpectraBase Spectrum ID |
AcMzFx7JDOH |
| Name |
2-Hydroxy-4-propyl-benzoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.109944372 u |
| Formula |
C12H16O3 |
| InChI |
InChI=1S/C12H16O3/c1-3-5-9-6-7-10(11(13)8-9)12(14)15-4-2/h6-8,13H,3-5H2,1-2H3 |
| InChIKey |
YECQIXJWLDMAJX-UHFFFAOYSA-N |
| Molecular Weight |
208.257 g/mol |
| SMILES |
C1(=C(C=C(CCC)C=C1)O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948586 |
