| SpectraBase Spectrum ID |
Mdsdu2lmbT |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl octadecyl 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/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-34-30(32)28-24-21-20-23-27(28)29(31)33-25-6-4-2/h20-21,27-28H,3-19,22-26H2,1-2H3 |
| InChIKey |
BHJIHFQUZVNSML-UHFFFAOYSA-N |
| Molecular Weight |
478.758 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCCCCCCCCCCCCCCCCCC)=O)C(=O)OCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949831 |
