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1,6-Benzodiazocin-2(1H)-one, 1-ethyl-3-methyl-5-phenyl-

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

1,6-Benzodiazocin-2(1H)-one, 1-ethyl-3-methyl-5-phenyl-
SpectraBase Compound ID 96FjPSFVzum
InChI InChI=1S/C19H18N2O/c1-3-21-18-12-8-7-11-16(18)20-17(13-14(2)19(21)22)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3/b14-13-,20-17+
InChIKey DEANRZBWLAHENO-BGILVWQOSA-N
Mol Weight 290.37 g/mol
Molecular Formula C19H18N2O
Exact Mass 290.141913 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6B3YnSyH2hQ
Name 1,6-Benzodiazocin-2(1H)-one, 1-ethyl-3-methyl-5-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.141913207 u
Formula C19H18N2O
InChI InChI=1S/C19H18N2O/c1-3-21-18-12-8-7-11-16(18)20-17(13-14(2)19(21)22)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3/b14-13-,20-17+
InChIKey DEANRZBWLAHENO-BGILVWQOSA-N
SMILES C1(N(C=2C(\N=C/(\C=C/1C)C=1C=CC=CC1)=CC=CC2)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.903024