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4-Chlorophenylisocyanate
SpectraBase Compound ID 6CQaKNrMlB
InChI InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey ADAKRBAJFHTIEW-UHFFFAOYSA-N
Mol Weight 153.57 g/mol
Molecular Formula C7H4ClNO
Exact Mass 152.998141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cdjgxjyyh9u
Name 1-chloro-4-isocyanato-benzene
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 152.998141452 u
Formula C7H4ClNO
GC Column DB-5 (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey ADAKRBAJFHTIEW-UHFFFAOYSA-N
Instrument Name Shimadzu GC/MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/chem.202300106
Molecular Weight 153.568 g/mol
Quality 1000
SMILES C1=C(C=CC(=C1)Cl)N=C=O
SPLASH splash10-0ufr-6900000000-b18599386188e58d9c68
Source of Spectrum QE-29-SM7-Figure S5-2 (DOI: 10.1002/chem.202300106)
Wiley ID 1910247