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1-Nitro-2-[2-(p-tolyl)ethynyl]benzene
SpectraBase Compound ID BaqmaRGgMqj
InChI InChI=1S/C15H11NO2/c1-12-6-8-13(9-7-12)10-11-14-4-2-3-5-15(14)16(17)18/h2-9H,1H3
InChIKey JSHLMTUGASWBFF-UHFFFAOYSA-N
Mol Weight 237.26 g/mol
Molecular Formula C15H11NO2
Exact Mass 237.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LEvbYjcAR0
Name 1-Nitro-2-[2-(p-tolyl)ethynyl]benzene
CAS Registry Number 40164-42-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11NO2
InChI InChI=1S/C15H11NO2/c1-12-6-8-13(9-7-12)10-11-14-4-2-3-5-15(14)16(17)18/h2-9H,1H3
InChIKey JSHLMTUGASWBFF-UHFFFAOYSA-N
Molecular Weight 237.258 g/mol
SMILES c1(N(=O)=O)c(C#Cc2ccc(cc2)C)cccc1
SPLASH splash10-014i-0920000000-b49dcd438cdcbdfd8b56
Source of Spectrum O-24-67-3
Synonyms 1-[2-(4-methylphenyl)ethynyl]-2-nitro-benzene
Wiley ID 1239691