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Benzene, 1-nitro-2-[(phenylethynyl)thio]-
SpectraBase Compound ID 54KQyESlDRq
InChI InChI=1S/C14H9NO2S/c16-15(17)13-8-4-5-9-14(13)18-11-10-12-6-2-1-3-7-12/h1-9H
InChIKey VGBKDYWHKWKNMQ-UHFFFAOYSA-N
Mol Weight 255.29 g/mol
Molecular Formula C14H9NO2S
Exact Mass 255.0354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52LDmCWwKbC
Name Benzene, 1-nitro-2-[(phenylethynyl)thio]-
CAS Registry Number 77443-70-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9NO2S
InChI InChI=1S/C14H9NO2S/c16-15(17)13-8-4-5-9-14(13)18-11-10-12-6-2-1-3-7-12/h1-9H
InChIKey VGBKDYWHKWKNMQ-UHFFFAOYSA-N
Molecular Weight 255.291 g/mol
SMILES c1(N(=O)=O)c(SC#Cc2ccccc2)cccc1
SPLASH splash10-0a4i-0930000000-ab8be3bb05e95162328c
Source of Spectrum O-24-486-1
Synonyms 1-Nitro-2-[(phenylethynyl)sulfanyl]benzene 1-Phenyl-2-(2-nitrophenylthio)-acetylene 2-Nitrophenyl phenylethynyl sulfide 2-Nitrophenyl-phenylethynylsulphide O-nitrophenyl phenylethynyl sulfide
Wiley ID 1258779