| SpectraBase Spectrum ID |
K35OPymMsBx |
| Name |
Benzoic acid, 4-(acetyloxy)-, 4-pentylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.151809184 u |
| Formula |
C20H22O4 |
| InChI |
InChI=1S/C20H22O4/c1-3-4-5-6-16-7-11-19(12-8-16)24-20(22)17-9-13-18(14-10-17)23-15(2)21/h7-14H,3-6H2,1-2H3 |
| InChIKey |
ZWNVLDGPVRDTOH-UHFFFAOYSA-N |
| Molecular Weight |
326.392 g/mol |
| SMILES |
CCCCCC1=CC=C(OC(=O)C2=CC=C(OC(C)=O)C=C2)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903192 |
