3A,4-DIHYDRO-1-PHENYL-3A,5,5-TRIMETHYL-5H-[1,2,4]-OXADIAZOLO-[5,4-D]-[1,5]-BENZOTHIAZEPINE

SpectraBase Compound ID	LQyc4r9wqgL
InChI	InChI=1S/C19H20N2OS/c1-18(2)13-19(3)21(15-11-7-8-12-16(15)23-18)17(20-22-19)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3/t19-/m0/s1
InChIKey	BXMHVVXRQUNIBV-IBGZPJMESA-N Google Search
Mol Weight	324.44 g/mol
Molecular Formula	C19H20N2OS
Exact Mass	324.129634 g/mol

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SpectraBase Spectrum ID	5DPTfPLM4tg
Name	3a,4-Dihydroxy-1-phenyl-3a,5,5-trimethyl-5H-[1,2,4]oxazolo[5,4-d][1,5]benzothiazepine
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H20N2OS
InChI	InChI=1S/C19H20N2OS/c1-18(2)13-19(3)21(15-11-7-8-12-16(15)23-18)17(20-22-19)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3/t19-/m0/s1
InChIKey	BXMHVVXRQUNIBV-IBGZPJMESA-N
Molecular Weight	324.442 g/mol
SMILES	[C@]12(N(C(=NO2)c2ccccc2)c2c(SC(C1)(C)C)cccc2)C
SPLASH	splash10-004i-1290000000-b42a976efc2015091381
Source of Spectrum	H1-38-2293-3
Synonyms	(S)-3a,5,5-Trimethyl-1-phenyl-4,5-dihydro-3aH-3-oxa-6-thia-2,10b-diaza-benzo[e]azulene 3a,5,5-trimethyl-1-phenyl-4,5-dihydro-3aH-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine
Wiley ID	756590