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N-[(2E),(1S)-1-(Methylethyl)hexa-2,5-dienyl](tert-butoxy)carboxamide

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

N-[(2E),(1S)-1-(Methylethyl)hexa-2,5-dienyl](tert-butoxy)carboxamide
SpectraBase Compound ID 3ENqBNJgMJD
InChI InChI=1S/C14H25NO2/c1-7-8-9-10-12(11(2)3)15-13(16)17-14(4,5)6/h7,9-12H,1,8H2,2-6H3,(H,15,16)/b10-9+/t12-/m1/s1
InChIKey YDIRORHFFMWXRX-BZYZDCJZSA-N
Mol Weight 239.36 g/mol
Molecular Formula C14H25NO2
Exact Mass 239.188529 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID tWgo58O0hR
Name N-[(2E),(1S)-1-(Methylethyl)hexa-2,5-dienyl](tert-butoxy)carboxamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 239.188529047 u
Formula C14H25NO2
InChI InChI=1S/C14H25NO2/c1-7-8-9-10-12(11(2)3)15-13(16)17-14(4,5)6/h7,9-12H,1,8H2,2-6H3,(H,15,16)/b10-9+/t12-/m1/s1
InChIKey YDIRORHFFMWXRX-BZYZDCJZSA-N
Molecular Weight 239.359 g/mol
SMILES C(N[C@](\C=C\CC=C)(C(C)C)[H])(OC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919909