| SpectraBase Spectrum ID |
fomC6nELCU |
| Name |
Butanoic acid, 3-hydroxy-4-(benzyloxy)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.120509056 u |
| Formula |
C13H18O4 |
| InChI |
InChI=1S/C13H18O4/c1-2-17-13(15)8-12(14)10-16-9-11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3 |
| InChIKey |
HMHGAAZSPNXMCQ-UHFFFAOYSA-N |
| Molecular Weight |
238.283 g/mol |
| SMILES |
C1=CC=CC(=C1)COCC(O)CC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945369 |
