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(1E,3E)-5-Acetoxy-N-isopropyl-1-azahepta-1,3-diene

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

(1E,3E)-5-Acetoxy-N-isopropyl-1-azahepta-1,3-diene
SpectraBase Compound ID JpexatDZsM6
InChI InChI=1S/C11H19NO2/c1-5-11(14-10(4)13)7-6-8-12-9(2)3/h6-9,11H,5H2,1-4H3/b7-6+,12-8+
InChIKey PODRVWMJLFUJJE-ZYUHXDNHSA-N
Mol Weight 197.28 g/mol
Molecular Formula C11H19NO2
Exact Mass 197.141579 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FshAF9F5brj
Name (1E,3E)-5-Acetoxy-N-isopropyl-1-azahepta-1,3-diene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 197.141578854 u
Formula C11H19NO2
InChI InChI=1S/C11H19NO2/c1-5-11(14-10(4)13)7-6-8-12-9(2)3/h6-9,11H,5H2,1-4H3/b7-6+,12-8+
InChIKey PODRVWMJLFUJJE-ZYUHXDNHSA-N
Molecular Weight 197.278 g/mol
SMILES C(=O)(OC(\C=C\C=N\C(C)C)CC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953776