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3-Nitrophenyl isothiocyanate
SpectraBase Compound ID KAWpbgcXlTh
InChI InChI=1S/C7H4N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-4H
InChIKey OEZXLKSZOAWNJU-UHFFFAOYSA-N
Mol Weight 180.18 g/mol
Molecular Formula C7H4N2O2S
Exact Mass 179.999349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3SWFgsgv40f
Name 1-Isothiocyanato-3-nitrobenzene
CAS Registry Number 3529-82-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4N2O2S
InChI InChI=1S/C7H4N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-4H
InChIKey OEZXLKSZOAWNJU-UHFFFAOYSA-N
Molecular Weight 180.181 g/mol
SMILES c1cc(cc(c1)N(=O)=O)N=C=S
SPLASH splash10-001i-8900000000-7126f1d4ac125852fab0
Source of Spectrum W6-12880-0-0
Synonyms 3-Nitrophenyl isothiocyanate Benzene, 1-isothiocyanato-3-nitro- Isothiocyanic acid, m-nitrophenyl ester m-Nitrophenyl isothiocyanate BRN 2094061
Wiley ID 88352