| SpectraBase Spectrum ID |
E5FdXcrYAHj |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, pentadecyl phenethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
484.355260022 u |
| Formula |
C31H48O4 |
| InChI |
InChI=1S/C31H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-25-34-30(32)28-22-17-18-23-29(28)31(33)35-26-24-27-20-15-14-16-21-27/h14-18,20-21,28-29H,2-13,19,22-26H2,1H3 |
| InChIKey |
IOBZLESSXUAKOB-UHFFFAOYSA-N |
| Molecular Weight |
484.721 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCCC=1C=CC=CC1)=O)C(=O)OCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840916 |
