| SpectraBase Spectrum ID |
7TSBtdzdp4B |
| Name |
Succinic acid, hept-2-yl 3-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.214409442 u |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-3-4-6-10-17(2)24-20(22)15-14-19(21)23-16-9-13-18-11-7-5-8-12-18/h5,7-8,11-12,17H,3-4,6,9-10,13-16H2,1-2H3 |
| InChIKey |
QEEPFRZHKXEARD-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C(CC(OC(C)CCCCC)=O)C(OCCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874823 |
