| SpectraBase Spectrum ID |
CXZczrHpfa |
| Name |
Fumaric acid, 2-butyl isohexyl 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(4)18-14(16)9-8-13(15)17-10-6-7-11(2)3/h8-9,11-12H,5-7,10H2,1-4H3/b9-8+ |
| InChIKey |
PSNXVANBOBEQMF-CMDGGOBGSA-N |
| Molecular Weight |
256.342 g/mol |
| SMILES |
C(\C=C\C(OCCCC(C)C)=O)(OC(CC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975811 |
