| SpectraBase Spectrum ID |
EXN6kK02NSV |
| Name |
Sebacic acid, isobutyl 1-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.261359635 u |
| Formula |
C23H36O4 |
| InChI |
InChI=1S/C23H36O4/c1-4-21(20-14-10-9-11-15-20)27-23(25)17-13-8-6-5-7-12-16-22(24)26-18-19(2)3/h9-11,14-15,19,21H,4-8,12-13,16-18H2,1-3H3 |
| InChIKey |
GMGDYQDGDOQPSQ-UHFFFAOYSA-N |
| Molecular Weight |
376.537 g/mol |
| SMILES |
C(CCCC(OC(CC)C1=CC=CC=C1)=O)CCCCC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880805 |
