| SpectraBase Spectrum ID |
LH0gjnBYVlR |
| Name |
Benzoic acid, 3-(formyloxy)-6-hydroxy-4-methoxy-2-pentyl-, phenylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.157288487 u |
| Formula |
C21H24O6 |
| InChI |
InChI=1S/C21H24O6/c1-3-4-6-11-16-19(17(23)12-18(25-2)20(16)27-14-22)21(24)26-13-15-9-7-5-8-10-15/h5,7-10,12,14,23H,3-4,6,11,13H2,1-2H3 |
| InChIKey |
HFHHYPLXJBNEAU-UHFFFAOYSA-N |
| Molecular Weight |
372.417 g/mol |
| SMILES |
C=1(C(=C(OC=O)C(=CC1O)OC)CCCCC)C(OCC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825661 |
