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m-Tolyl isocyanate
SpectraBase Compound ID DnMxXmukoFN
InChI InChI=1S/C8H7NO/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3
InChIKey CPPGZWWUPFWALU-UHFFFAOYSA-N
Mol Weight 133.15 g/mol
Molecular Formula C8H7NO
Exact Mass 133.052764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ARDrbNK5oiP
Name 1-Isocyanato-3-methylbenzene
Alternate Name(s) 3-Methylphenyl isocyanate 3-Tolyl isocyanate Benzene, 1-isocyanato-3-methyl- Isocyanic acid, m-tolyl ester m-Isocyanatotoluene m-Methylphenyl isocyanate m-Tolyl isocyanate AI3-28254 EINECS 210-676-0
CAS Registry Number 621-29-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO
InChI InChI=1S/C8H7NO/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3
InChIKey CPPGZWWUPFWALU-UHFFFAOYSA-N
Molecular Weight 133.150 g/mol
SMILES Cc1cccc(c1)N=C=O
SPLASH splash10-001i-3900000000-20f8ded0caf93c2cb15c
Source of Spectrum RB-1982-12926-0
Wiley ID 1134348