SpectraBase Spectrum ID |
BNB35OZjTos |
Name |
4-(3-Hexyl-4-methyl-2,5-dioxopyrrol-1-yl)butanamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
280.178692638 u |
Formula |
C15H24N2O3 |
InChI |
InChI=1S/C15H24N2O3/c1-3-4-5-6-8-12-11(2)14(19)17(15(12)20)10-7-9-13(16)18/h3-10H2,1-2H3,(H2,16,18) |
InChIKey |
CMXRSAXAGMHIDE-UHFFFAOYSA-N |
SMILES |
C1(=C(C(N(C1=O)CCCC(N)=O)=O)CCCCCC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981345 |