| SpectraBase Spectrum ID |
6gN5NmD7Tzc |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-phenylpropyl tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
470.339609957 u |
| Formula |
C30H46O4 |
| InChI |
InChI=1S/C30H46O4/c1-2-3-4-5-6-7-8-9-10-11-17-24-33-29(31)27-22-15-16-23-28(27)30(32)34-25-18-21-26-19-13-12-14-20-26/h12-16,19-20,27-28H,2-11,17-18,21-25H2,1H3 |
| InChIKey |
JVIGWTWTMOCOCP-UHFFFAOYSA-N |
| Molecular Weight |
470.694 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCCCC1=CC=CC=C1)=O)C(=O)OCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866804 |
