| SpectraBase Spectrum ID |
AQk5QTe0pCK |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.339609957 u |
| Formula |
C26H46O4 |
| InChI |
InChI=1S/C26H46O4/c1-4-5-6-7-8-9-10-11-12-15-20-29-25(27)23-18-13-14-19-24(23)26(28)30-21-16-17-22(2)3/h13-14,22-24H,4-12,15-21H2,1-3H3 |
| InChIKey |
IAYPLKHNCJZVSJ-UHFFFAOYSA-N |
| Molecular Weight |
422.650 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCCCC(C)C)=O)C(=O)OCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944119 |
