SpectraBase Spectrum ID |
HNhv2bAla9M |
Name |
Succinic acid, cycloheptyl dodecyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
382.308309828 u |
Formula |
C23H42O4 |
InChI |
InChI=1S/C23H42O4/c1-2-3-4-5-6-7-8-9-12-15-20-26-22(24)18-19-23(25)27-21-16-13-10-11-14-17-21/h21H,2-20H2,1H3 |
InChIKey |
HWNNIQASJASLEW-UHFFFAOYSA-N |
Molecular Weight |
382.585 g/mol |
SMILES |
C(CCCCCCCCCOC(CCC(OC1CCCCCC1)=O)=O)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.823132 |