| SpectraBase Spectrum ID |
HHqj8csg9k7 |
| Name |
Fumaric acid, di(2-heptyl) 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/c1-5-7-9-11-15(3)21-17(19)13-14-18(20)22-16(4)12-10-8-6-2/h13-16H,5-12H2,1-4H3/b14-13+ |
| InChIKey |
MCIGVLILBVGABK-BUHFOSPRSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
C(OC(C)CCCCC)(\C=C\C(OC(C)CCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985204 |
