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1,4-Dithiaspiro[4.5]decane, 6-(2-nitro-1-phenylethyl)-, [S-(R*,S*)]-
SpectraBase Compound ID HJl1c2KWAe0
InChI InChI=1S/C16H21NO2S2/c18-17(19)12-14(13-6-2-1-3-7-13)15-8-4-5-9-16(15)20-10-11-21-16/h1-3,6-7,14-15H,4-5,8-12H2
InChIKey FWPHVHNSLVWRCN-UHFFFAOYSA-N
Mol Weight 323.47 g/mol
Molecular Formula C16H21NO2S2
Exact Mass 323.101371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Imz76m184zw
Name 1,4-Dithiaspiro[4.5]decane, 6-(2-nitro-1-phenylethyl)-, [S-(R*,S*)]-
CAS Registry Number 83976-51-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO2S2
InChI InChI=1S/C16H21NO2S2/c18-17(19)12-14(13-6-2-1-3-7-13)15-8-4-5-9-16(15)20-10-11-21-16/h1-3,6-7,14-15H,4-5,8-12H2
InChIKey FWPHVHNSLVWRCN-UHFFFAOYSA-N
Molecular Weight 323.469 g/mol
SMILES C1CCC2(C(C1)C(c1ccccc1)CN(=O)=O)SCCS2
SPLASH splash10-003r-4930000000-af7df7c25e8792a4c108
Synonyms (+)-(2S,1'R)-2-(2'-nitro-1'phenylethyl)-cyclohexanon-ethylenacetal 10-(2-nitro-1-phenyl-ethyl)-1,4-dithiaspiro[4.5]decane 6-(2-Nitro-1-phenyl-ethyl)-1,4-dithia-spiro[4.5]decane 6-(2-Nitro-1-phenylethyl)-1,4-dithiaspiro[4.5]decane
Wiley ID 1483837