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Benzylisocyanate
SpectraBase Compound ID 7bkMhpGVlt
InChI InChI=1S/C8H7NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey YDNLNVZZTACNJX-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 2TUD8Y17ISu
Name Benzyl isocyanate
Alternate Name(s) (Isocyanatomethyl)benzene Benzene, (isocyanatomethyl)-
CAS Registry Number 3173-56-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO
InChI InChI=1S/C8H7NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey YDNLNVZZTACNJX-UHFFFAOYSA-N
Molecular Weight 133.150 g/mol
SMILES C(N=C=O)c1ccccc1
SPLASH splash10-0f8c-7900000000-6e56b3e9c76df39a1cd0
Source of Spectrum F4-40-1617-4
Wiley ID 1670694