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(4.alpha.,4a.alpha.,8a.beta.)-4a,5,6,7,8,8a-hexahydro-8a-hydroxy-4-phenyl-4H-3,1-benzothiazine-2(1H)-thione
SpectraBase Compound ID EaoroPwLBfU
InChI InChI=1S/C14H17NOS2/c16-14-9-5-4-8-11(14)12(18-13(17)15-14)10-6-2-1-3-7-10/h1-3,6-7,11-12,16H,4-5,8-9H2,(H,15,17)/t11-,12-,14-/m0/s1
InChIKey UWQMOUGJWQIOEZ-OBJOEFQTSA-N
Mol Weight 279.42 g/mol
Molecular Formula C14H17NOS2
Exact Mass 279.075157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GkGEyugHMqB
Name (4.alpha.,4a.alpha.,8a.beta.)-4a,5,6,7,8,8a-hexahydro-8a-hydroxy-4-phenyl-4H-3,1-benzothiazine-2(1H)-thione
Alternate Name(s) (4R,4aR,8aS)-8a-hydroxy-4-phenyloctahydro-2H-3,1-benzothiazine-2-thione
CAS Registry Number 110660-30-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NOS2
InChI InChI=1S/C14H17NOS2/c16-14-9-5-4-8-11(14)12(18-13(17)15-14)10-6-2-1-3-7-10/h1-3,6-7,11-12,16H,4-5,8-9H2,(H,15,17)/t11-,12-,14-/m0/s1
InChIKey UWQMOUGJWQIOEZ-OBJOEFQTSA-N
Molecular Weight 279.416 g/mol
SMILES N1C(S[C@]([C@]2([C@]1(CCCC2)O)[H])(c1ccccc1)[H])=S
SPLASH splash10-00ku-3940000000-afca952659768bf5d22e
Source of Spectrum K-122-654-3
Wiley ID 1282837