(7aR,13S)-13-Phenyl-8,9,10,11-tetrahydro-7aH,13H-naphtho[1,2-e]pyrido[2,1-b][1,3]oxazine

SpectraBase Compound ID	AgIM6aI0Pu9
InChI	InChI=1S/C22H21NO/c1-2-9-17(10-3-1)22-21-18-11-5-4-8-16(18)13-14-19(21)24-20-12-6-7-15-23(20)22/h1-5,8-11,13-14,20,22H,6-7,12,15H2/t20-,22+/m1/s1
InChIKey	NKTURDWYUWMOKB-IRLDBZIGSA-N Google Search
Mol Weight	315.42 g/mol
Molecular Formula	C22H21NO
Exact Mass	315.162314 g/mol

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SpectraBase Spectrum ID	5gRvSKFEoC6
Name	(7ar,13S)-13-Phenyl-8,9,10,11-tetrahydro-7ah,13H-naphtho[1,2-E]pyrido[2,1-B][1,3]oxazine
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	315.162314299 u
Formula	C22H21NO
InChI	InChI=1S/C22H21NO/c1-2-9-17(10-3-1)22-21-18-11-5-4-8-16(18)13-14-19(21)24-20-12-6-7-15-23(20)22/h1-5,8-11,13-14,20,22H,6-7,12,15H2/t20-,22+/m1/s1
InChIKey	NKTURDWYUWMOKB-IRLDBZIGSA-N
Molecular Weight	315.416 g/mol
SMILES	C1=2[C@@](N3CCCC[C@]3(OC2C=CC2=C1C=CC=C2)[H])(C1=CC=CC=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.897737