| SpectraBase Spectrum ID |
GBLzUoT41bM |
| Name |
Fumaric acid, isopropyl undecyl 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/c1-4-5-6-7-8-9-10-11-12-15-21-17(19)13-14-18(20)22-16(2)3/h13-14,16H,4-12,15H2,1-3H3/b14-13+ |
| InChIKey |
DGKYFXDZJKXZNB-BUHFOSPRSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
C(CCCCCCOC(\C=C\C(=O)OC(C)C)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958662 |
