| SpectraBase Spectrum ID |
BKhITKFLBXA |
| Name |
Succinic acid, hexyl 3-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.198759378 u |
| Formula |
C19H28O4 |
| InChI |
InChI=1S/C19H28O4/c1-2-3-4-8-15-22-18(20)13-14-19(21)23-16-9-12-17-10-6-5-7-11-17/h5-7,10-11H,2-4,8-9,12-16H2,1H3 |
| InChIKey |
YEQNRTURUMRAGH-UHFFFAOYSA-N |
| Molecular Weight |
320.429 g/mol |
| SMILES |
C(OC(CCC(OCCCC1=CC=CC=C1)=O)=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899808 |
