| SpectraBase Spectrum ID |
E6TT6izD1dJ |
| Name |
Fumaric acid, butyl 2-ethylhexyl 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/c1-4-7-9-14(6-3)13-20-16(18)11-10-15(17)19-12-8-5-2/h10-11,14H,4-9,12-13H2,1-3H3/b11-10+ |
| InChIKey |
VTQXCIDAWXSZQX-ZHACJKMWSA-N |
| SMILES |
C(\C=C\C(OCC(CCCC)CC)=O)(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977287 |
