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Benzene, 1-nitro-4-[(phenylethynyl)thio]-
SpectraBase Compound ID FBvMZQmmrtH
InChI InChI=1S/C14H9NO2S/c16-15(17)13-6-8-14(9-7-13)18-11-10-12-4-2-1-3-5-12/h1-9H
InChIKey GSBWMEJSNORJQW-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 3Rqys1GhT2G
Name Benzene, 1-nitro-4-[(phenylethynyl)thio]-
CAS Registry Number 50991-48-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9NO2S
InChI InChI=1S/C14H9NO2S/c16-15(17)13-6-8-14(9-7-13)18-11-10-12-4-2-1-3-5-12/h1-9H
InChIKey GSBWMEJSNORJQW-UHFFFAOYSA-N
Molecular Weight 255.291 g/mol
SMILES c1(N(=O)=O)ccc(SC#Cc2ccccc2)cc1
SPLASH splash10-0a4i-0390000000-f32f4dce72d78ea25126
Source of Spectrum O-24-486-2
Synonyms 1-Nitro-4-[(phenylethynyl)sulfanyl]benzene 4-Nitrophenyl phenylethynyl sulfide 4-Nitrophenyl-phenylethynylsulphide
Wiley ID 1258780