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Benzene, 1-isocyano-3-methyl-
SpectraBase Compound ID HpwAxMRHqOs
InChI InChI=1S/C8H7N/c1-7-4-3-5-8(6-7)9-2/h3-6H,1H3
InChIKey PWGXNGSDQHRHCZ-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 DUkj4Gp8pZT
Name Benzene, 1-isocyano-3-methyl-
Alternate Name(s) 1-isocyano-3-methyl-benzene m-Tolyl isocyanide
CAS Registry Number 20600-54-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7N
InChI InChI=1S/C8H7N/c1-7-4-3-5-8(6-7)9-2/h3-6H,1H3
InChIKey PWGXNGSDQHRHCZ-UHFFFAOYSA-N
Molecular Weight 117.151 g/mol
SMILES Cc1cccc(c1)[N+]#[C-]
SPLASH splash10-014i-3900000000-97c2c061ab30bb929114
Source of Spectrum T-68-1037-0
Wiley ID 1126159