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trans-4-phenyl-1,4,4a,5,6,7-hexahydro-3,1-benzothiazine-2-thione
SpectraBase Compound ID LPdPn9X44rQ
InChI InChI=1S/C14H15NS2/c16-14-15-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10/h1-3,6-7,9,11,13H,4-5,8H2,(H,15,16)/t11-,13+/m0/s1
InChIKey BWZQYCJKZUROEV-WCQYABFASA-N
Mol Weight 261.4 g/mol
Molecular Formula C14H15NS2
Exact Mass 261.064592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3F4X2jKXMy
Name trans-4-phenyl-1,4,4a,5,6,7-hexahydro-3,1-benzothiazine-2-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NS2
InChI InChI=1S/C14H15NS2/c16-14-15-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10/h1-3,6-7,9,11,13H,4-5,8H2,(H,15,16)/t11-,13+/m0/s1
InChIKey BWZQYCJKZUROEV-WCQYABFASA-N
Literature Reference DOI 10.1002/cber.19891220411
Molecular Weight 261.401 g/mol
SMILES N1C(S[C@@]([C@@]2(C1=CCCC2)[H])(c1ccccc1)[H])=S
SPLASH splash10-03di-2490000000-8087c9c1d7892eeda669
Source of Spectrum K-122-655-5a
Synonyms (4S,4aS)-4-phenyl-1,4,4a,5,6,7-hexahydro-2H-benzo[d][1,3]thiazine-2-thione
Wiley ID 1793012