(9R,9aS)-9-(p-Toluenesulfonyl)-2,3,5,8,9,9a-hydro-1H-pyrrolo[1,2-a]azepin-3-one

SpectraBase Compound ID	1NzSVfenQK6
InChI	InChI=1S/C16H19NO3S/c1-12-5-7-13(8-6-12)21(19,20)15-4-2-3-11-17-14(15)9-10-16(17)18/h2-3,5-8,14-15H,4,9-11H2,1H3/t14-,15+/m0/s1
InChIKey	DIKZPQOOKDPNJZ-LSDHHAIUSA-N Google Search
Mol Weight	305.39 g/mol
Molecular Formula	C16H19NO3S
Exact Mass	305.108565 g/mol

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SpectraBase Spectrum ID	2yL25kl2t9w
Name	(9R,9aS)-9-(p-Toluenesulfonyl)-2,3,5,8,9,9a-hydro-1H-pyrrolo[1,2-a]azepin-3-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H19NO3S
InChI	InChI=1S/C16H19NO3S/c1-12-5-7-13(8-6-12)21(19,20)15-4-2-3-11-17-14(15)9-10-16(17)18/h2-3,5-8,14-15H,4,9-11H2,1H3/t14-,15+/m0/s1
InChIKey	DIKZPQOOKDPNJZ-LSDHHAIUSA-N
Molecular Weight	305.392 g/mol
SMILES	[C@@]1(S(c2ccc(cc2)C)(=O)=O)([C@]2(N(C(=O)CC2)CC=CC1)[H])[H]
SPLASH	splash10-0aou-9221000000-2e74d636ccd0eddb0933
Source of Spectrum	KD-12-2210-6
Synonyms	(9R,9aS)-9-(p-tolylsulfonyl)-1,2,5,8,9,9a-hexahydropyrrolo[1,2-a]azepin-3-one (9R,9aS)-9-(4-methylphenyl)sulfonyl-1,2,5,8,9,9a-hexahydropyrrolo[1,2-a]azepin-3-one
Wiley ID	1634669