1-[(ETHYLSULFONYL)CARBONYL]HEXAHYDRO-1H-AZEPINE

SpectraBase Compound ID	CQC8sXKMQb1
InChI	InChI=1S/C9H17NO3S/c1-2-14(12,13)9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
InChIKey	YDGVBAZMNPWLGE-UHFFFAOYSA-N Google Search
Mol Weight	219.3 g/mol
Molecular Formula	C9H17NO3S
Exact Mass	219.092915 g/mol

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SpectraBase Spectrum ID	Blw3pqHBjUs
Name	S-Ethyl hexahydro-1H-azepine-1-carbothioate S,S-dioxide
CAS Registry Number	54404-54-5
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C9H17NO3S
InChI	InChI=1S/C9H17NO3S/c1-2-14(12,13)9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
InChIKey	YDGVBAZMNPWLGE-UHFFFAOYSA-N
Instrument Name	Varian CFT-20
Literature Reference	C.K. Tseng, D.J. Bowler, Org. Magn. Resonance 17, 131 (1981).
NMR Standard	TMS
Origin	Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent	CDCl3