| SpectraBase Spectrum ID |
5r6dGgoA9xF |
| Name |
Fumaric acid, cyclohex-3-enylmethyl dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.277009700 u |
| Formula |
C23H38O4 |
| InChI |
InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-14-19-26-22(24)17-18-23(25)27-20-21-15-12-11-13-16-21/h11-12,17-18,21H,2-10,13-16,19-20H2,1H3/b18-17+ |
| InChIKey |
UTRVNQFQVSETIB-ISLYRVAYSA-N |
| Molecular Weight |
378.553 g/mol |
| SMILES |
C1C(CCC=C1)COC(\C=C\C(OCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925704 |
