(3aS,10aR)-3-Phenyl-3a,5,10-trimethylisoxazolo[4,5-b]benzazepine

SpectraBase Compound ID	MTERCtKNIu
InChI	InChI=1S/C20H22N2O/c1-14-13-20(2)18(15-9-5-4-6-10-15)21-23-19(20)22(3)17-12-8-7-11-16(14)17/h4-12,14,19H,13H2,1-3H3/t14?,19-,20+/m1/s1
InChIKey	YDFYFHPEKYOVLB-LCMMRXEZSA-N Google Search
Mol Weight	306.41 g/mol
Molecular Formula	C20H22N2O
Exact Mass	306.173213 g/mol

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SpectraBase Spectrum ID	3rEr0ArwOG
Name	(3aS,10aR)-3-Phenyl-3a,5,10-trimethylisoxazolo[4,5-b]benzazepine
Alternate Name(s)	(3aR,10aS)-4,9,10a-Trimethyl-1-phenyl-4,9,10,10a-tetrahydro-3aH-3-oxa-2,4-diaza-benzo[f]azulene (3aS,10aR)-3a,5,10-trimethyl-3-phenyl-4,5,10,10a-tetrahydro-3aH-isoxazolo[5,4-b][1]benzazepine 3-Phenyl-3a,5,10-trimethylisoxazolo[4,5-b]benzazepine
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H22N2O
InChI	InChI=1S/C20H22N2O/c1-14-13-20(2)18(15-9-5-4-6-10-15)21-23-19(20)22(3)17-12-8-7-11-16(14)17/h4-12,14,19H,13H2,1-3H3/t14?,19-,20+/m1/s1
InChIKey	YDFYFHPEKYOVLB-LCMMRXEZSA-N
Molecular Weight	306.409 g/mol
SMILES	[C@]12([C@](N(c3ccccc3C(C2)C)C)(ON=C1c1ccccc1)[H])C
SPLASH	splash10-000g-0900000000-46ad20d5d6a8758d81bd
Source of Spectrum	AC-134-532-5
Wiley ID	812554