| SpectraBase Spectrum ID |
DKNUjQwkLLu |
| Name |
1,2-Cyclohexanedicarboxylic acid, allyl tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.323959893 u |
| Formula |
C25H44O4 |
| InChI |
InChI=1S/C25H44O4/c1-3-5-6-7-8-9-10-11-12-13-14-17-21-29-25(27)23-19-16-15-18-22(23)24(26)28-20-4-2/h4,22-23H,2-3,5-21H2,1H3 |
| InChIKey |
CYKPSSFQSQIYAJ-UHFFFAOYSA-N |
| Molecular Weight |
408.623 g/mol |
| SMILES |
C1(CCCCC1C(OCCCCCCCCCCCCCC)=O)C(=O)OCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92183 |
