| SpectraBase Spectrum ID |
Bo2VAhCx3it |
| Name |
Fumaric acid, hexyl 2-octyl 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/c1-4-6-8-10-12-16(3)22-18(20)14-13-17(19)21-15-11-9-7-5-2/h13-14,16H,4-12,15H2,1-3H3/b14-13+ |
| InChIKey |
NIEIVENHRQWBLQ-BUHFOSPRSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
C(\C=C\C(OC(CCCCCC)C)=O)(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974081 |
