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but-2-Enoylamide, 3-methyl-N-2-ethylhexyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

but-2-Enoylamide, 3-methyl-N-2-ethylhexyl-
SpectraBase Compound ID D4U2AhNS1XU
InChI InChI=1S/C13H25NO/c1-5-7-8-12(6-2)10-14-13(15)9-11(3)4/h9,12H,5-8,10H2,1-4H3,(H,14,15)
InChIKey GVFGWDRUEKBYLY-UHFFFAOYSA-N
Mol Weight 211.35 g/mol
Molecular Formula C13H25NO
Exact Mass 211.193614 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FaZSUN1wD4F
Name but-2-Enoylamide, 3-methyl-N-2-ethylhexyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 211.193614428 u
Formula C13H25NO
InChI InChI=1S/C13H25NO/c1-5-7-8-12(6-2)10-14-13(15)9-11(3)4/h9,12H,5-8,10H2,1-4H3,(H,14,15)
InChIKey GVFGWDRUEKBYLY-UHFFFAOYSA-N
Molecular Weight 211.349 g/mol
SMILES C(C=C(C)C)(NCC(CCCC)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970036