| SpectraBase Spectrum ID |
EtstWP7oggO |
| Name |
Sebacic acid, 3-phenylallyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.230059506 u |
| Formula |
C22H32O4 |
| InChI |
InChI=1S/C22H32O4/c1-2-18-25-21(23)16-10-5-3-4-6-11-17-22(24)26-19-12-15-20-13-8-7-9-14-20/h7-9,12-15H,2-6,10-11,16-19H2,1H3/b15-12+ |
| InChIKey |
KRBXQYHJJKGMSK-NTCAYCPXSA-N |
| Molecular Weight |
360.494 g/mol |
| SMILES |
C(CCCCCC(OC\C=C\C1=CC=CC=C1)=O)CCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98513 |
