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7-Acetoxy-N-isopropyl-7-phenyl-1-azahepta-1,3,5-triene

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

7-Acetoxy-N-isopropyl-7-phenyl-1-azahepta-1,3,5-triene
SpectraBase Compound ID 59ZaI3ORcz9
InChI InChI=1S/C17H21NO2/c1-14(2)18-13-9-5-8-12-17(20-15(3)19)16-10-6-4-7-11-16/h4-14,17H,1-3H3/b9-5+,12-8+,18-13+
InChIKey ZYSYQURXMBHSCB-RGIMXKCWSA-N
Mol Weight 271.36 g/mol
Molecular Formula C17H21NO2
Exact Mass 271.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ErodBEc0Dzt
Name 7-Acetoxy-N-isopropyl-7-phenyl-1-azahepta-1,3,5-triene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 271.157228918 u
Formula C17H21NO2
InChI InChI=1S/C17H21NO2/c1-14(2)18-13-9-5-8-12-17(20-15(3)19)16-10-6-4-7-11-16/h4-14,17H,1-3H3/b9-5+,12-8+,18-13+
InChIKey ZYSYQURXMBHSCB-RGIMXKCWSA-N
Molecular Weight 271.360 g/mol
SMILES C(\C=C\C=C\C=N\C(C)C)(C=1C=CC=CC1)OC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.812086