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3-[3-Methyl-2-(3-nitrophenylazo)-6-oxo-5,6-dihydro-imidazo[1,2-b]pyrazol-7-ylidene]-1,3-dihydro-indol-2-one
SpectraBase Compound ID 7Xl8k0U7Pxo
InChI InChI=1S/C20H13N7O4/c1-10-17(24-23-11-5-4-6-12(9-11)27(30)31)22-18-16(20(29)25-26(10)18)15-13-7-2-3-8-14(13)21-19(15)28/h2-9H,1H3,(H,21,28)(H,25,29)
InChIKey PKVXHJAGHFBSHX-UHFFFAOYSA-N
Mol Weight 415.37 g/mol
Molecular Formula C20H13N7O4
Exact Mass 415.102902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8bD5sOvvY5w
Name 3-[3-Methyl-2-(3-nitrophenylazo)-6-oxo-5,6-dihydro-imidazo[1,2-b]pyrazol-7-ylidene]-1,3-dihydro-indol-2-one
Appearance Reddish brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13N7O4
InChI InChI=1S/C20H13N7O4/c1-10-17(24-23-11-5-4-6-12(9-11)27(30)31)22-18-16(20(29)25-26(10)18)15-13-7-2-3-8-14(13)21-19(15)28/h2-9H,1H3,(H,21,28)(H,25,29)
InChIKey PKVXHJAGHFBSHX-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX or HP GCMS 5988-A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2731
Molecular Weight 415.369 g/mol
SMILES N1C(C(=C2C(N[n]3c2nc(c3C)N=Nc2cccc(c2)[N+]([O-])=O)=O)c2ccccc12)=O
SPLASH splash10-03y0-9513100000-cb214b1ac7a0bfd24e5e
Source of Spectrum Y-54-1455-6g
Wiley ID 1878231