(+-)-4-Chloro-1-methyl-2-oxa-6-phenylmethylthio-5-azabicyclo[2.2.2]oct-5-en-3-one

SpectraBase Compound ID	5HoSGVJfwvb
InChI	InChI=1S/C14H14ClNO2S/c1-13-7-8-14(15,12(17)18-13)16-11(13)19-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3/t13-,14-/m1/s1
InChIKey	NPWIPNHOTXTYNO-ZIAGYGMSSA-N Google Search
Mol Weight	295.78 g/mol
Molecular Formula	C14H14ClNO2S
Exact Mass	295.043378 g/mol

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SpectraBase Spectrum ID	3sADLD6YrOY
Name	(+-)-4-Chloro-1-methyl-2-oxa-6-phenylmethylthio-5-azabicyclo[2.2.2]oct-5-en-3-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C14H14ClNO2S
InChI	InChI=1S/C14H14ClNO2S/c1-13-7-8-14(15,12(17)18-13)16-11(13)19-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3/t13-,14-/m1/s1
InChIKey	NPWIPNHOTXTYNO-ZIAGYGMSSA-N
Molecular Weight	295.784 g/mol
SMILES	[C@]12(N=C([C@](OC2=O)(CC1)C)SCc1ccccc1)Cl
SPLASH	splash10-0007-7090000000-164e992eee12b77173ff
Source of Spectrum	F-52-12535-3
Synonyms	6-(benzylsulfanyl)-4-chloro-1-methyl-2-oxa-5-azabicyclo[2.2.2]oct-5-en-3-one
Wiley ID	798942