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3-Nitrophenyl isocyanate
SpectraBase Compound ID 8GcgBtL6kw6
InChI InChI=1S/C7H4N2O3/c10-5-8-6-2-1-3-7(4-6)9(11)12/h1-4H
InChIKey GFFGYTMCNVMFAJ-UHFFFAOYSA-N
Mol Weight 164.12 g/mol
Molecular Formula C7H4N2O3
Exact Mass 164.022192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwUG5BQjaK6
Name 1-Isocyanato-3-nitrobenzene
CAS Registry Number 3320-87-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4N2O3
InChI InChI=1S/C7H4N2O3/c10-5-8-6-2-1-3-7(4-6)9(11)12/h1-4H
InChIKey GFFGYTMCNVMFAJ-UHFFFAOYSA-N
Molecular Weight 164.120 g/mol
SMILES c1(N=C=O)cc(ccc1)N(=O)=O
SPLASH splash10-03dl-9400000000-25bdf03f923486e31d47
Source of Spectrum W6-10081-0-0
Synonyms 3-Isocyanato benzonitrile 3-Nitrophenyl isocyanate Benzene, 1-isocyanato-3-nitro- Isocyanic acid, m-nitrophenyl ester m-Nitrophenyl isocyanate AI3-28251 EINECS 222-025-8 NSC 5385
Wiley ID 85623