| SpectraBase Spectrum ID |
H4nBKLYrwUC |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.386560150 u |
| Formula |
C29H52O4 |
| InChI |
InChI=1S/C29H52O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-20-23-32-28(30)25-21-18-19-22-26(25)29(31)33-27(6-2)24(3)4/h18-19,24-27H,5-17,20-23H2,1-4H3 |
| InChIKey |
HYHXGSKODIMAPX-UHFFFAOYSA-N |
| Molecular Weight |
464.731 g/mol |
| SMILES |
C=1CC(C(CC1)C(OC(CC)C(C)C)=O)C(=O)OCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877431 |
