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2,2-Dimethyl-1-(5'-nitro-2'-thienyl)propyl p-tolyl sulfide
SpectraBase Compound ID WJCg8dtZ5I
InChI InChI=1S/C16H19NO2S2/c1-11-5-7-12(8-6-11)20-15(16(2,3)4)13-9-10-14(21-13)17(18)19/h5-10,15H,1-4H3
InChIKey ZMNAPJLMTLGWMV-UHFFFAOYSA-N
Mol Weight 321.45 g/mol
Molecular Formula C16H19NO2S2
Exact Mass 321.085721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L3dx7G4Jgwy
Name 2,2-Dimethyl-1-(5'-nitro-2'-thienyl)propyl p-tolyl sulfide
Alternate Name(s) 2,2-Dimethyl-1-(5-nitro-2-thienyl)propyl 4-methylphenyl sulfide 2-{2,2-dimethyl-1-[(4-methylphenyl)sulfanyl]propyl}-5-nitrothiophene
CAS Registry Number 87207-21-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO2S2
InChI InChI=1S/C16H19NO2S2/c1-11-5-7-12(8-6-11)20-15(16(2,3)4)13-9-10-14(21-13)17(18)19/h5-10,15H,1-4H3
InChIKey ZMNAPJLMTLGWMV-UHFFFAOYSA-N
Molecular Weight 321.453 g/mol
SMILES c1(N(=O)=O)sc(C(Sc2ccc(cc2)C)C(C)(C)C)cc1
SPLASH splash10-052g-7931000000-21a979d3df3208fca956
Source of Spectrum J-48-4205-0
Wiley ID 1320825