SpectraBase Spectrum ID |
HbJLn0AEpzy |
Name |
Glutaric acid, di((cyclohex-3-enyl)methyl) ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
320.198759378 u |
Formula |
C19H28O4 |
InChI |
InChI=1S/C19H28O4/c20-18(22-14-16-8-3-1-4-9-16)12-7-13-19(21)23-15-17-10-5-2-6-11-17/h1-3,5,16-17H,4,6-15H2 |
InChIKey |
NQMDXDBHWQEXFC-UHFFFAOYSA-N |
Molecular Weight |
320.429 g/mol |
SMILES |
C(CCC(OCC1CCC=CC1)=O)C(OCC1CC=CCC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.995236 |