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1-[2-isocyano-3-(4-methylphenyl)propyl]-4-methyl-benzene
SpectraBase Compound ID BlOjlms8opn
InChI InChI=1S/C18H19N/c1-14-4-8-16(9-5-14)12-18(19-3)13-17-10-6-15(2)7-11-17/h4-11,18H,12-13H2,1-2H3
InChIKey QIJFROXCOVYOTH-UHFFFAOYSA-N
Mol Weight 249.36 g/mol
Molecular Formula C18H19N
Exact Mass 249.15175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gd4RMpEsTj4
Name 1-[2-isocyano-3-(4-methylphenyl)propyl]-4-methyl-benzene
Alternate Name(s) 1-[2-isocyano-3-(p-tolyl)propyl]-4-methyl-benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19N
InChI InChI=1S/C18H19N/c1-14-4-8-16(9-5-14)12-18(19-3)13-17-10-6-15(2)7-11-17/h4-11,18H,12-13H2,1-2H3
InChIKey QIJFROXCOVYOTH-UHFFFAOYSA-N
Molecular Weight 249.357 g/mol
SMILES C([N+]#[C-])(Cc1ccc(cc1)C)Cc1ccc(cc1)C
SPLASH splash10-0a4i-0910000000-90037cfd3c0fa5e37774
Source of Spectrum AT-32-5542-3
Wiley ID 836086