| SpectraBase Spectrum ID |
EwUL2Bkvd3u |
| Name |
Fumaric acid, hexyl 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/c1-5-6-7-8-11-19-15(17)9-10-16(18)20-14(4)12-13(2)3/h9-10,13-14H,5-8,11-12H2,1-4H3/b10-9+ |
| InChIKey |
VOUUJFWMMQUBRL-MDZDMXLPSA-N |
| SMILES |
C(OC(C)CC(C)C)(\C=C\C(OCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947433 |
