| SpectraBase Spectrum ID |
6fk7EyXdC8d |
| Name |
Fumaric acid, hexyl 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/c1-5-6-7-8-11-18-13(16)9-10-14(17)19-12-15(2,3)4/h9-10H,5-8,11-12H2,1-4H3/b10-9+ |
| InChIKey |
BGSRDVWGGNNPNK-MDZDMXLPSA-N |
| Molecular Weight |
270.369 g/mol |
| SMILES |
C(OC(\C=C\C(OCC(C)(C)C)=O)=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928369 |
