| SpectraBase Spectrum ID |
18zxussjlU7 |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.308309828 u |
| Formula |
C24H42O4 |
| InChI |
InChI=1S/C24H42O4/c1-4-5-6-7-8-9-10-13-18-27-23(25)21-16-11-12-17-22(21)24(26)28-19-14-15-20(2)3/h11-12,20-22H,4-10,13-19H2,1-3H3 |
| InChIKey |
XMCMJELDIRPLHH-UHFFFAOYSA-N |
| Molecular Weight |
394.596 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCCCCCCCCCC)=O)C(=O)OCCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932496 |
