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N-[Methyl(4-nitrophenyl)(oxo)-lamda6-sulfaneylidene]-3-phenylpropiolamide
SpectraBase Compound ID Xfs0KosXRr
InChI InChI=1S/C16H12N2O4S/c1-23(22,15-10-8-14(9-11-15)18(20)21)17-16(19)12-7-13-5-3-2-4-6-13/h2-6,8-11H,1H3
InChIKey XFVGOTLBUOFSTR-UHFFFAOYSA-N
Mol Weight 328.34 g/mol
Molecular Formula C16H12N2O4S
Exact Mass 328.051778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hkfi2ZuZkdv
Name N-[Methyl(4-nitrophenyl)(oxo)-lamda6-sulfaneylidene]-3-phenylpropiolamide
Appearance Orange oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N2O4S
InChI InChI=1S/C16H12N2O4S/c1-23(22,15-10-8-14(9-11-15)18(20)21)17-16(19)12-7-13-5-3-2-4-6-13/h2-6,8-11H,1H3
InChIKey XFVGOTLBUOFSTR-UHFFFAOYSA-N
Instrument Name Finnigan SSQ-7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202001440
Molecular Weight 328.342 g/mol
Reported Formula C16H12N2O4S
SMILES c1cc(ccc1[N+](=O)[O-])S(=NC(C#Cc1ccccc1)=O)(C)=O
SPLASH splash10-004i-0911000000-7f6a0be908b675f5d2f3
Source of Spectrum ASC-363-SM8-2ai
Wiley ID 1856394