| SpectraBase Spectrum ID |
S0aO44eo6A |
| Name |
Sebacic acid, 5-methoxy-3-phenylpentyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.287574383 u |
| Formula |
C25H40O5 |
| InChI |
InChI=1S/C25H40O5/c1-3-19-29-24(26)15-11-6-4-5-7-12-16-25(27)30-21-18-23(17-20-28-2)22-13-9-8-10-14-22/h8-10,13-14,23H,3-7,11-12,15-21H2,1-2H3 |
| InChIKey |
ZMDZYMJUTUZUCP-UHFFFAOYSA-N |
| Molecular Weight |
420.590 g/mol |
| SMILES |
C(CCCCCCCCC(OCCC)=O)(OCCC(C1=CC=CC=C1)CCOC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880197 |
