| SpectraBase Spectrum ID |
6FMxt3UGron |
| Name |
Benzoic acid (3,6-diketo-6-methoxy-hexyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.099773610 u |
| Formula |
C14H16O5 |
| InChI |
InChI=1S/C14H16O5/c1-18-13(16)8-7-12(15)9-10-19-14(17)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3 |
| InChIKey |
DUFSTELWOFZHDY-UHFFFAOYSA-N |
| Molecular Weight |
264.277 g/mol |
| SMILES |
C(OC)(=O)CCC(=O)CCOC(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975732 |
