| SpectraBase Spectrum ID |
FPGprRqpAZe |
| Name |
Fumaric acid, ethyl 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 |
212.104858991 u |
| Formula |
C11H16O4 |
| InChI |
InChI=1S/C11H16O4/c1-4-14-10(12)5-6-11(13)15-8-7-9(2)3/h5-7H,4,8H2,1-3H3/b6-5+ |
| InChIKey |
BFQNRMBWOYWKIW-AATRIKPKSA-N |
| Molecular Weight |
212.245 g/mol |
| SMILES |
CC(C)=CCOC(\C=C\C(OCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900552 |
