| SpectraBase Spectrum ID |
HIHV60KsTb9 |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptadecyl 3-methylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
478.402210215 u |
| Formula |
C30H54O4 |
| InChI |
InChI=1S/C30H54O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-33-29(31)27-21-18-19-22-28(27)30(32)34-25-23-26(2)3/h18-19,26-28H,4-17,20-25H2,1-3H3 |
| InChIKey |
HIZGXUYEEGVKRA-UHFFFAOYSA-N |
| Molecular Weight |
478.758 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCCC(C)C)=O)C(=O)OCCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936475 |
