SpectraBase Spectrum ID |
HyzWUuCgufT |
Name |
Glutaric acid, cyclohexylmethyl 2-decyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
368.292659764 u |
Formula |
C22H40O4 |
InChI |
InChI=1S/C22H40O4/c1-3-4-5-6-7-9-13-19(2)26-22(24)17-12-16-21(23)25-18-20-14-10-8-11-15-20/h19-20H,3-18H2,1-2H3 |
InChIKey |
RMSSRGFEYAYWMW-UHFFFAOYSA-N |
Molecular Weight |
368.558 g/mol |
SMILES |
C(CCC(OCC1CCCCC1)=O)C(OC(CCCCCCCC)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941196 |