| SpectraBase Spectrum ID |
5dR7W4MlDgu |
| Name |
Fumaric acid, 6-ethyloct-3-yl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.230059506 u |
| Formula |
C18H32O4 |
| InChI |
InChI=1S/C18H32O4/c1-6-15(7-2)9-10-16(8-3)22-18(20)12-11-17(19)21-13-14(4)5/h11-12,14-16H,6-10,13H2,1-5H3/b12-11+ |
| InChIKey |
VSVPUQSMFKUVQO-VAWYXSNFSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
C(\C=C\C(OCC(C)C)=O)(OC(CCC(CC)CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97686 |
