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oct-3-Enoylamide, N-methyl-N-heptyl-

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

oct-3-Enoylamide, N-methyl-N-heptyl-
SpectraBase Compound ID BxxLR12CzeP
InChI InChI=1S/C16H31NO/c1-4-6-8-10-12-14-16(18)17(3)15-13-11-9-7-5-2/h10,12H,4-9,11,13-15H2,1-3H3/b12-10+
InChIKey RTKKNJFLBJVHDC-ZRDIBKRKSA-N
Mol Weight 253.43 g/mol
Molecular Formula C16H31NO
Exact Mass 253.240565 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ELqan8QNLIk
Name oct-3-Enoylamide, N-methyl-N-heptyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.240564621 u
Formula C16H31NO
InChI InChI=1S/C16H31NO/c1-4-6-8-10-12-14-16(18)17(3)15-13-11-9-7-5-2/h10,12H,4-9,11,13-15H2,1-3H3/b12-10+
InChIKey RTKKNJFLBJVHDC-ZRDIBKRKSA-N
Molecular Weight 253.430 g/mol
SMILES C(C\C=C\CCCC)(=O)N(C)CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966667