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

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N-[(2E),(1S)-1-Benzylhexa-2,5-dienyl](tert-butoxy)carboxamide
SpectraBase Compound ID AOXBmMn5Jw1
InChI InChI=1S/C18H25NO2/c1-5-6-8-13-16(14-15-11-9-7-10-12-15)19-17(20)21-18(2,3)4/h5,7-13,16H,1,6,14H2,2-4H3,(H,19,20)/b13-8+/t16-/m1/s1
InChIKey GLILCPYEHQPFDD-WDBUWWRISA-N
Mol Weight 287.4 g/mol
Molecular Formula C18H25NO2
Exact Mass 287.188529 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cmbs1xnYkr8
Name N-[(2E),(1S)-1-Benzylhexa-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 287.188529047 u
Formula C18H25NO2
InChI InChI=1S/C18H25NO2/c1-5-6-8-13-16(14-15-11-9-7-10-12-15)19-17(20)21-18(2,3)4/h5,7-13,16H,1,6,14H2,2-4H3,(H,19,20)/b13-8+/t16-/m1/s1
InChIKey GLILCPYEHQPFDD-WDBUWWRISA-N
Molecular Weight 287.403 g/mol
SMILES C(N[C@](\C=C\CC=C)(CC=1C=CC=CC1)[H])(OC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913176