| SpectraBase Spectrum ID |
MWzhCUqWnH |
| Name |
Fumaric acid, di(4-methylpent-2-yl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.198759378 u |
| Formula |
C16H28O4 |
| InChI |
InChI=1S/C16H28O4/c1-11(2)9-13(5)19-15(17)7-8-16(18)20-14(6)10-12(3)4/h7-8,11-14H,9-10H2,1-6H3/b8-7+ |
| InChIKey |
NZQQFMVULBBDSP-BQYQJAHWSA-N |
| SMILES |
C(OC(C)CC(C)C)(\C=C\C(OC(C)CC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983075 |
