| SpectraBase Spectrum ID |
7PJebi73fdE |
| Name |
Benzoic acid, 2,3-bis(acetyloxy)-6-(2-phenylethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.110338294 u |
| Formula |
C19H18O6 |
| InChI |
InChI=1S/C19H18O6/c1-12(20)24-16-11-10-15(9-8-14-6-4-3-5-7-14)17(19(22)23)18(16)25-13(2)21/h3-7,10-11H,8-9H2,1-2H3,(H,22,23) |
| InChIKey |
SJROWRBVVWKRBH-UHFFFAOYSA-N |
| Molecular Weight |
342.347 g/mol |
| SMILES |
C(OC1=C(C(O)=O)C(CCC2=CC=CC=C2)=CC=C1OC(C)=O)(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933627 |
