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o-Tolyl isocyanate
SpectraBase Compound ID 2IOO8goAzAU
InChI InChI=1S/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3
InChIKey VAYMIYBJLRRIFR-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 AlQFupMb3eA
Name 1-Isocyanato-2-methylbenzene
Alternate Name(s) 2-Methylphenyl isocyanate 2-Tolyl isocyanate Benzene, 1-isocyanato-2-methyl- Isocyanic acid, o-tolyl ester o-Methylphenyl isocyanate o-Toluene isocyanate o-Tolyl isocyanate AI3-28255 EINECS 210-389-0
CAS Registry Number 614-68-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO
InChI InChI=1S/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3
InChIKey VAYMIYBJLRRIFR-UHFFFAOYSA-N
Molecular Weight 133.150 g/mol
SMILES Cc1ccccc1N=C=O
SPLASH splash10-0ue9-9500000000-53092317b8aa8e83c758
Source of Spectrum NW-1874-0-0
Wiley ID 1134346