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4-nitrocarbanilide
SpectraBase Compound ID KW5EO3N6cTU
InChI InChI=1S/C13H11N3O3/c17-13(14-10-4-2-1-3-5-10)15-11-6-8-12(9-7-11)16(18)19/h1-9H,(H2,14,15,17)
InChIKey QHHPMKKJBURYIQ-UHFFFAOYSA-N
Mol Weight 257.25 g/mol
Molecular Formula C13H11N3O3
Exact Mass 257.080041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DhNqKY1ooIN
Name 1-(4-nitrophenyl)-3-phenylurea
Appearance White crystal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.080041223 u
Formula C13H11N3O3
InChI InChI=1S/C13H11N3O3/c17-13(14-10-4-2-1-3-5-10)15-11-6-8-12(9-7-11)16(18)19/h1-9H,(H2,14,15,17)
InChIKey QHHPMKKJBURYIQ-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901140
Molecular Weight 257.249 g/mol
Quality 879
SMILES N(C1=CC=C([N+](=O)[O-])C=C1)C(=O)NC1=CC=CC=C1
SPLASH splash10-052r-7920000000-0d22b83ff10e712bff6e
Source of Spectrum K1-2019-SM156-F27 (DOI: 10.1002/ejoc.201901140)
Wiley ID 1898431