(4aR,7aR)-1-(phenylmethyl)-3-(phenylsulfonyl)-2,4a,5,6,7,7a-hexahydrocyclopenta[b]pyridine

SpectraBase Compound ID	FKHusa3K2h1
InChI	InChI=1S/C21H23NO2S/c23-25(24,19-11-5-2-6-12-19)20-14-18-10-7-13-21(18)22(16-20)15-17-8-3-1-4-9-17/h1-6,8-9,11-12,14,18,21H,7,10,13,15-16H2/t18-,21-/m1/s1
InChIKey	MNAQPQXAFMWZBH-WIYYLYMNSA-N Google Search
Mol Weight	353.48 g/mol
Molecular Formula	C21H23NO2S
Exact Mass	353.14495 g/mol

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SpectraBase Spectrum ID	FGYfsvgdcmg
Name	(4aR,7aR)-1-(phenylmethyl)-3-(phenylsulfonyl)-2,4a,5,6,7,7a-hexahydrocyclopenta[b]pyridine
Alternate Name(s)	(4aR,7aR)-1-benzyl-3-besyl-2,4a,5,6,7,7a-hexahydro-1-pyrindine (4aR,7aR)-3-(benzenesulfonyl)-1-(phenylmethyl)-2,4a,5,6,7,7a-hexahydrocyclopenta[b]pyridine (4aR,7aR)-3-(benzenesulfonyl)-1-benzyl-2,4a,5,6,7,7a-hexahydrocyclopenta[b]pyridine
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H23NO2S
InChI	InChI=1S/C21H23NO2S/c23-25(24,19-11-5-2-6-12-19)20-14-18-10-7-13-21(18)22(16-20)15-17-8-3-1-4-9-17/h1-6,8-9,11-12,14,18,21H,7,10,13,15-16H2/t18-,21-/m1/s1
InChIKey	MNAQPQXAFMWZBH-WIYYLYMNSA-N
Molecular Weight	353.480 g/mol
SMILES	C1(S(=O)(=O)c2ccccc2)=C[C@]2(CCC[C@]2(N(C1)Cc1ccccc1)[H])[H]
SPLASH	splash10-01ox-9042000000-78e3790e1553698b9989
Source of Spectrum	QA-45-172-16
Wiley ID	862712