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Benzene, 1-[[(4-methylphenyl)ethynyl]thio]-2-nitro-
SpectraBase Compound ID JyxceOoYa3N
InChI InChI=1S/C15H11NO2S/c1-12-6-8-13(9-7-12)10-11-19-15-5-3-2-4-14(15)16(17)18/h2-9H,1H3
InChIKey KMRLGHYAKCMSIE-UHFFFAOYSA-N
Mol Weight 269.32 g/mol
Molecular Formula C15H11NO2S
Exact Mass 269.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EisEW4NNm3k
Name Benzene, 1-[[(4-methylphenyl)ethynyl]thio]-2-nitro-
CAS Registry Number 124499-76-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11NO2S
InChI InChI=1S/C15H11NO2S/c1-12-6-8-13(9-7-12)10-11-19-15-5-3-2-4-14(15)16(17)18/h2-9H,1H3
InChIKey KMRLGHYAKCMSIE-UHFFFAOYSA-N
Molecular Weight 269.318 g/mol
SMILES c1(N(=O)=O)c(SC#Cc2ccc(cc2)C)cccc1
SPLASH splash10-014i-0960000000-40c8cfab317bbf3495bb
Source of Spectrum O-24-486-5
Synonyms (4-methylphenyl)ethynyl 2-nitrophenyl sulfide 1-(4-Methylphenyl)-2-(2-nitrophenylthio)-acetylene 1-{[(4-methylphenyl)ethynyl]sulfanyl}-2-nitrobenzene 2-Nitrophenyl-(p-tolyl)ethynylsulphide
Wiley ID 1273179