| SpectraBase Spectrum ID |
EYPvLb1Ok3a |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-phenylpropyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.308309828 u |
| Formula |
C28H42O4 |
| InChI |
InChI=1S/C28H42O4/c1-2-3-4-5-6-7-8-9-15-22-31-27(29)25-20-13-14-21-26(25)28(30)32-23-16-19-24-17-11-10-12-18-24/h10-14,17-18,25-26H,2-9,15-16,19-23H2,1H3 |
| InChIKey |
JPMLMNGXIXYMDR-UHFFFAOYSA-N |
| Molecular Weight |
442.640 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCCCC1=CC=CC=C1)=O)C(=O)OCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846611 |
