| SpectraBase Spectrum ID |
67FfDKJs62D |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl 2-methylpent-3-yl 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/c1-5-7-8-9-10-11-12-13-14-17-20-29-25(27)22-18-15-16-19-23(22)26(28)30-24(6-2)21(3)4/h15-16,21-24H,5-14,17-20H2,1-4H3 |
| InChIKey |
GYYQYKSPVQHJTI-UHFFFAOYSA-N |
| Molecular Weight |
422.650 g/mol |
| SMILES |
C=1CC(C(CC1)C(OC(CC)C(C)C)=O)C(=O)OCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876273 |
