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1-(but-3-en-1-yn-1-yl)-3-nitrobenzene
SpectraBase Compound ID sKfBc4uQhA
InChI InChI=1S/C10H7NO2/c1-2-3-5-9-6-4-7-10(8-9)11(12)13/h2,4,6-8H,1H2
InChIKey IULGFXDQQYKBES-UHFFFAOYSA-N
Mol Weight 173.17 g/mol
Molecular Formula C10H7NO2
Exact Mass 173.047678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LbnIruITSzX
Name 1-(but-3-en-1-yn-1-yl)-3-nitrobenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 173.047678467 u
Formula C10H7NO2
InChI InChI=1S/C10H7NO2/c1-2-3-5-9-6-4-7-10(8-9)11(12)13/h2,4,6-8H,1H2
InChIKey IULGFXDQQYKBES-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202202421
Molecular Weight 173.171 g/mol
Quality 208
SMILES C(#CC=C)C1=CC(=CC=C1)[N+](=O)[O-]
SPLASH splash10-00fr-1900000000-94f318804a698b942e66
Source of Spectrum QE-28-SM26-3o (DOI: 10.1002/chem.202202421)
Wiley ID 1900771