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3-(4-Fluorophenyl)-N-[methyl(oxo)(phenyl)-lamda6-sulfaneylidene]propiolamide
SpectraBase Compound ID 4lxMKUun1is
InChI InChI=1S/C16H12FNO2S/c1-21(20,15-5-3-2-4-6-15)18-16(19)12-9-13-7-10-14(17)11-8-13/h2-8,10-11H,1H3
InChIKey ZJHYXXQXYIXOJI-UHFFFAOYSA-N
Mol Weight 301.34 g/mol
Molecular Formula C16H12FNO2S
Exact Mass 301.057278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cb7r3Aazv4T
Name 3-(4-Fluorophenyl)-N-[methyl(oxo)(phenyl)-lamda6-sulfaneylidene]propiolamide
Appearance Orange oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12FNO2S
InChI InChI=1S/C16H12FNO2S/c1-21(20,15-5-3-2-4-6-15)18-16(19)12-9-13-7-10-14(17)11-8-13/h2-8,10-11H,1H3
InChIKey ZJHYXXQXYIXOJI-UHFFFAOYSA-N
Instrument Name Finnigan SSQ-7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202001440
Molecular Weight 301.335 g/mol
Reported Formula C16H12FNO2S
SMILES c1cc(ccc1)S(=NC(C#Cc1ccc(cc1)F)=O)(C)=O
SPLASH splash10-000t-0951000000-b3bbd82627ce819ad3e1
Source of Spectrum ASC-363-SM13-2da
Wiley ID 1856406