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Phenyl-o-tolylmethyl isocyanate

View entire compound with spectra: 1 MS (GC)

Phenyl-o-tolylmethyl isocyanate
SpectraBase Compound ID JbuY74vgKxz
InChI InChI=1S/C15H13NO/c1-12-7-5-6-10-14(12)15(16-11-17)13-8-3-2-4-9-13/h2-10,15H,1H3
InChIKey XPFURSQWPRWOPU-UHFFFAOYSA-N
Mol Weight 223.27 g/mol
Molecular Formula C15H13NO
Exact Mass 223.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JB3uHWKtCb0
Name Phenyl-o-tolylmethyl isocyanate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13NO
InChI InChI=1S/C15H13NO/c1-12-7-5-6-10-14(12)15(16-11-17)13-8-3-2-4-9-13/h2-10,15H,1H3
InChIKey XPFURSQWPRWOPU-UHFFFAOYSA-N
Molecular Weight 223.275 g/mol
SMILES C(c1c(cccc1)C)(c1ccccc1)N=C=O
SPLASH splash10-001i-2910000000-0de500b967a598ca4727
Source of Spectrum F-51-7895-55
Synonyms 1-[isocyanato(phenyl)methyl]-2-methylbenzene
Wiley ID 792677