| SpectraBase Spectrum ID |
Js3owK8DL1e |
| Name |
Fumaric acid, isohexyl 3-methylbut-2-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.167459249 u |
| Formula |
C15H24O4 |
| InChI |
InChI=1S/C15H24O4/c1-12(2)6-5-10-18-14(16)7-8-15(17)19-11-9-13(3)4/h7-9,12H,5-6,10-11H2,1-4H3/b8-7+ |
| InChIKey |
WQSUPCPVFCEQLY-BQYQJAHWSA-N |
| Molecular Weight |
268.353 g/mol |
| SMILES |
C(COC(\C=C\C(OCCCC(C)C)=O)=O)=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972398 |
