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2-Ethynylaniline
SpectraBase Compound ID 86YRr9ZsJ0J
InChI InChI=1S/C8H7N/c1-2-7-5-3-4-6-8(7)9/h1,3-6H,9H2
InChIKey ALQPJHSFIXARGX-UHFFFAOYSA-N
Mol Weight 117.15 g/mol
Molecular Formula C8H7N
Exact Mass 117.057849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SInmxhKX4q
Name o-Ethynylaniline
Appearance Oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 117.057849229 u
Formula C8H7N
InChI InChI=1S/C8H7N/c1-2-7-5-3-4-6-8(7)9/h1,3-6H,9H2
InChIKey ALQPJHSFIXARGX-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 6890 series GC-5973 MSD
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0002.402
Molecular Weight 117.151 g/mol
Quality 201
SMILES NC1=C(C#C)C=CC=C1
SPLASH splash10-014l-9700000000-c409c71173d9c88980ad
Source of Spectrum ARK-2001-8-8-6 (DOI: 10.3998/ark.5550190.0002.402)
Wiley ID 1908728