SpectraBase Spectrum ID |
AHNnIhhrptn |
Name |
Fumaric acid, di(3-methylbut-3-enyl) ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
252.136159120 u |
Formula |
C14H20O4 |
InChI |
InChI=1S/C14H20O4/c1-11(2)7-9-17-13(15)5-6-14(16)18-10-8-12(3)4/h5-6H,1,3,7-10H2,2,4H3/b6-5+ |
InChIKey |
CEBGQTGJJSUMKF-AATRIKPKSA-N |
Molecular Weight |
252.310 g/mol |
SMILES |
CC(=C)CCOC(\C=C\C(OCCC(C)=C)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980384 |