| SpectraBase Spectrum ID |
EapxehPnZJ8 |
| Name |
Fumaric acid, butyl 2-methylcyclohex-1-enylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.167459249 u |
| Formula |
C16H24O4 |
| InChI |
InChI=1S/C16H24O4/c1-3-4-11-19-15(17)9-10-16(18)20-12-14-8-6-5-7-13(14)2/h9-10H,3-8,11-12H2,1-2H3/b10-9+ |
| InChIKey |
ICGYERDLKRWZCO-MDZDMXLPSA-N |
| SMILES |
C1CC(=C(CC1)COC(\C=C\C(OCCCC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954171 |
