| SpectraBase Spectrum ID |
2WbRQsYBSgk |
| Name |
Fumaric acid, butyl 2-decyl 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/c1-4-6-8-9-10-11-12-16(3)22-18(20)14-13-17(19)21-15-7-5-2/h13-14,16H,4-12,15H2,1-3H3/b14-13+ |
| InChIKey |
YIEUMBHDJZBNJF-BUHFOSPRSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
C(OC(CCCCCCCC)C)(\C=C\C(OCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88946 |
