| SpectraBase Spectrum ID |
45DVYa0dIpk |
| Name |
Succinic acid, 2-methylpent-3-yl 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/c1-4-17(15(2)3)23-19(21)13-12-18(20)22-14-8-11-16-9-6-5-7-10-16/h5-7,9-10,15,17H,4,8,11-14H2,1-3H3 |
| InChIKey |
JXXRZJVYNRCMMC-UHFFFAOYSA-N |
| Molecular Weight |
320.429 g/mol |
| SMILES |
C(CC(OC(CC)C(C)C)=O)C(OCCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845469 |
