N-Benzoyl-4,5-dimethyl-2-azatricyclo[5,4.0.0(3,6)]undeca-1(7),8,10-triene isomer

SpectraBase Compound ID	GqxQXg6h72L
InChI	InChI=1S/C19H19NO/c1-12-13(2)18-17(12)15-10-6-7-11-16(15)20(18)19(21)14-8-4-3-5-9-14/h3-13,17-18H,1-2H3
InChIKey	WLSPHGCMYNCPCD-UHFFFAOYSA-N Google Search
Mol Weight	277.37 g/mol
Molecular Formula	C19H19NO
Exact Mass	277.146664 g/mol

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SpectraBase Spectrum ID	B9dPpuO7JG4
Name	N-Benzoyl-4,5-dimethyl-2-azatricyclo[5,4.0.0(3,6)]undeca-1(7),8,10-triene isomer
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	277.146664235 u
Formula	C19H19NO
InChI	InChI=1S/C19H19NO/c1-12-13(2)18-17(12)15-10-6-7-11-16(15)20(18)19(21)14-8-4-3-5-9-14/h3-13,17-18H,1-2H3
InChIKey	WLSPHGCMYNCPCD-UHFFFAOYSA-N
Molecular Weight	277.367 g/mol
SMILES	C12N(C3=C(C2C(C1C)C)C=CC=C3)C(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.881142