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(2S,3R,4S)-N,N-dimethyl-2-(4-methylphenyl)-3-nitro-6-thiophen-2-yl-3,4-dihydro-2H-thiopyran-4-amine
SpectraBase Compound ID ISIrCFO79v6
InChI InChI=1S/C18H20N2O2S2/c1-12-6-8-13(9-7-12)18-17(20(21)22)14(19(2)3)11-16(24-18)15-5-4-10-23-15/h4-11,14,17-18H,1-3H3/t14-,17+,18-/m0/s1
InChIKey CIWMEAPBINQVQU-QGTPRVQTSA-N
Mol Weight 360.49 g/mol
Molecular Formula C18H20N2O2S2
Exact Mass 360.09662 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7irIOIQ1jYw
Name (2S,3R,4S)-N,N-dimethyl-2-(4-methylphenyl)-3-nitro-6-thiophen-2-yl-3,4-dihydro-2H-thiopyran-4-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N2O2S2
InChI InChI=1S/C18H20N2O2S2/c1-12-6-8-13(9-7-12)18-17(20(21)22)14(19(2)3)11-16(24-18)15-5-4-10-23-15/h4-11,14,17-18H,1-3H3/t14-,17+,18-/m0/s1
InChIKey CIWMEAPBINQVQU-QGTPRVQTSA-N
Molecular Weight 360.490 g/mol
SMILES [C@@]1([C@](C=C(S[C@]1(c1ccc(cc1)C)[H])c1sccc1)(N(C)C)[H])(N(=O)=O)[H]
SPLASH splash10-03dj-1900000000-d95095725a3455330770
Source of Spectrum AH-132-953-3
Synonyms (2S,3R,4S)-N,N-dimethyl-3-nitro-2-(p-tolyl)-6-(2-thienyl)-3,4-dihydro-2H-thiopyran-4-amine Dimethyl-[(2S,3R,4S)-3-nitro-2-(p-tolyl)-6-(2-thienyl)-3,4-dihydro-2H-thiopyran-4-yl]amine
Wiley ID 849862