| SpectraBase Spectrum ID |
BxHCNT4TPvs |
| Name |
Fumaric acid, monoamide, N-undecyl-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.261693988 u |
| Formula |
C19H35NO3 |
| InChI |
InChI=1S/C19H35NO3/c1-4-5-6-7-8-9-10-11-12-15-20-18(21)13-14-19(22)23-16-17(2)3/h13-14,17H,4-12,15-16H2,1-3H3,(H,20,21)/b14-13+ |
| InChIKey |
SQUMQKLJJCHVOS-BUHFOSPRSA-N |
| Molecular Weight |
325.493 g/mol |
| SMILES |
C(CNC(\C=C\C(OCC(C)C)=O)=O)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861103 |
