| SpectraBase Spectrum ID |
AYPEYgjLcBj |
| Name |
Fumaric acid, di(cyclohex-3-enylmethyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.167459249 u |
| Formula |
C18H24O4 |
| InChI |
InChI=1S/C18H24O4/c19-17(21-13-15-7-3-1-4-8-15)11-12-18(20)22-14-16-9-5-2-6-10-16/h1-3,5,11-12,15-16H,4,6-10,13-14H2/b12-11+ |
| InChIKey |
DZFAYNRGNDMYAB-VAWYXSNFSA-N |
| SMILES |
C1=CCCC(C1)COC(\C=C\C(OCC1CC=CCC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959401 |
