(2R,4aR,7S,7aR)-1,2,7-trimethyl-6-(4-methylphenyl)sulfonyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b]pyridin-4-one

SpectraBase Compound ID	CQSWrvc1BIU
InChI	InChI=1S/C17H24N2O3S/c1-11-5-7-14(8-6-11)23(21,22)19-10-15-16(20)9-12(2)18(4)17(15)13(19)3/h5-8,12-13,15,17H,9-10H2,1-4H3/t12-,13+,15+,17+/m1/s1
InChIKey	NMLHHOGYOGHFQC-RMRKRWHISA-N Google Search
Mol Weight	336.45 g/mol
Molecular Formula	C17H24N2O3S
Exact Mass	336.150764 g/mol

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SpectraBase Spectrum ID	APfGUrSFJUy
Name	(2R,4aR,7S,7aR)-1,2,7-trimethyl-6-(4-methylphenyl)sulfonyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b]pyridin-4-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H24N2O3S
InChI	InChI=1S/C17H24N2O3S/c1-11-5-7-14(8-6-11)23(21,22)19-10-15-16(20)9-12(2)18(4)17(15)13(19)3/h5-8,12-13,15,17H,9-10H2,1-4H3/t12-,13+,15+,17+/m1/s1
InChIKey	NMLHHOGYOGHFQC-RMRKRWHISA-N
Molecular Weight	336.450 g/mol
SMILES	[C@@]1(N(S(c2ccc(cc2)C)(=O)=O)C[C@]2(C(C[C@](N([C@@]12[H])C)(C)[H])=O)[H])(C)[H]
SPLASH	splash10-0a4i-7900000000-110ad9155eec8f83e800
Source of Spectrum	QC-11-908-26
Synonyms	(2R,4aR,7S,7aR)-1,2,7-trimethyl-6-(p-tolylsulfonyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b]pyridin-4-one (2R,4aR,7S,7aR)-1,2,7-trimethyl-6-tosyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b]pyridin-4-one
Wiley ID	859715