| SpectraBase Spectrum ID |
KJW6jPew1m4 |
| Name |
Benzenepropanoic acid, .alpha.,4-bis(acetyloxy)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.094688229 u |
| Formula |
C14H16O6 |
| InChI |
InChI=1S/C14H16O6/c1-9(15)19-12-6-4-11(5-7-12)8-13(14(17)18-3)20-10(2)16/h4-7,13H,8H2,1-3H3 |
| InChIKey |
RGUXLGYXMLKTAQ-UHFFFAOYSA-N |
| SMILES |
C(CC1=CC=C(C=C1)OC(C)=O)(C(OC)=O)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961547 |
