| SpectraBase Spectrum ID |
APUNzQLB3Xc |
| Name |
Fumaric acid, 2-ethylbutyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.167459249 u |
| Formula |
C14H24O4 |
| InChI |
InChI=1S/C14H24O4/c1-5-12(6-2)10-18-14(16)8-7-13(15)17-9-11(3)4/h7-8,11-12H,5-6,9-10H2,1-4H3/b8-7+ |
| InChIKey |
NTJCVVMHCFNSFA-BQYQJAHWSA-N |
| Molecular Weight |
256.342 g/mol |
| SMILES |
CCC(CC)COC(\C=C\C(OCC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985427 |
