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1-[(ETHYLSULFINYL)CARBONYL]HEXAHYDRO-1H-AZEPINE
SpectraBase Compound ID JXO4qNEYJGd
InChI InChI=1S/C9H17NO2S/c1-2-13(12)9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
InChIKey AQZLABPGWGSAER-UHFFFAOYSA-N
Mol Weight 203.3 g/mol
Molecular Formula C9H17NO2S
Exact Mass 203.098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E3qYa07Fd7y
Name S-Ethyl hexahydro-1H-azepine-1-carbothioate S-oxide
CAS Registry Number 52236-29-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H17NO2S
InChI InChI=1S/C9H17NO2S/c1-2-13(12)9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
InChIKey AQZLABPGWGSAER-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