| SpectraBase Spectrum ID |
B3mQv21H2Yp |
| Name |
Fumaric acid, isohexyl neopentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.183109313 u |
| Formula |
C15H26O4 |
| InChI |
InChI=1S/C15H26O4/c1-12(2)7-6-10-18-13(16)8-9-14(17)19-11-15(3,4)5/h8-9,12H,6-7,10-11H2,1-5H3/b9-8+ |
| InChIKey |
UNMNBODXVIHBDS-CMDGGOBGSA-N |
| Molecular Weight |
270.369 g/mol |
| SMILES |
C(\C=C\C(OCC(C)(C)C)=O)(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955617 |
