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1-Dodecyl-3,3-dimethyl-4-methyleneazetidin-2-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1-Dodecyl-3,3-dimethyl-4-methyleneazetidin-2-one
SpectraBase Compound ID 9x44JRHIOXh
InChI InChI=1S/C18H33NO/c1-5-6-7-8-9-10-11-12-13-14-15-19-16(2)18(3,4)17(19)20/h2,5-15H2,1,3-4H3
InChIKey FIBHSTPCLUPGOD-UHFFFAOYSA-N
Mol Weight 279.5 g/mol
Molecular Formula C18H33NO
Exact Mass 279.256215 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DLRFXiM250j
Name 1-Dodecyl-3,3-dimethyl-4-methyleneazetidin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.256214686 u
Formula C18H33NO
InChI InChI=1S/C18H33NO/c1-5-6-7-8-9-10-11-12-13-14-15-19-16(2)18(3,4)17(19)20/h2,5-15H2,1,3-4H3
InChIKey FIBHSTPCLUPGOD-UHFFFAOYSA-N
Molecular Weight 279.468 g/mol
SMILES CC1(C)C(N(CCCCCCCCCCCC)C1=O)=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809157