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Hept-2-enoylamide, N-3-methylbutyl-

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

Hept-2-enoylamide, N-3-methylbutyl-
SpectraBase Compound ID 7BJ9rnsKGbC
InChI InChI=1S/C12H23NO/c1-4-5-6-7-8-12(14)13-10-9-11(2)3/h7-8,11H,4-6,9-10H2,1-3H3,(H,13,14)/b8-7+
InChIKey DWOQCPIDBBUXNL-BQYQJAHWSA-N
Mol Weight 197.32 g/mol
Molecular Formula C12H23NO
Exact Mass 197.177964 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EHBklHpE8fo
Name Hept-2-enoylamide, N-3-methylbutyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 197.177964364 u
Formula C12H23NO
InChI InChI=1S/C12H23NO/c1-4-5-6-7-8-12(14)13-10-9-11(2)3/h7-8,11H,4-6,9-10H2,1-3H3,(H,13,14)/b8-7+
InChIKey DWOQCPIDBBUXNL-BQYQJAHWSA-N
Molecular Weight 197.322 g/mol
SMILES C(=O)(NCCC(C)C)\C=C\CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978597