| SpectraBase Spectrum ID |
1z3uEU5N8N5 |
| Name |
Fumaric acid, butyl cyclohex-3-enylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.151809184 u |
| Formula |
C15H22O4 |
| InChI |
InChI=1S/C15H22O4/c1-2-3-11-18-14(16)9-10-15(17)19-12-13-7-5-4-6-8-13/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3/b10-9+ |
| InChIKey |
KPECLZMFZRENAS-MDZDMXLPSA-N |
| Molecular Weight |
266.337 g/mol |
| SMILES |
C1=CCCC(C1)COC(\C=C\C(OCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816961 |
