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2,7-Dimethyl-8-phenylazo-3-[N-(4-chlorophenyl)-2-oxo-2-phenyl-ethanehydrazonoyl)]-pyrazolo[1,5-a]pyrimidin-4(3H)-one
SpectraBase Compound ID ImC2VpMXNsB
InChI InChI=1S/C28H22ClN7O2/c1-17-23(25(26(37)19-9-5-3-6-10-19)34-32-22-15-13-20(29)14-16-22)28(38)36-27(30-17)24(18(2)35-36)33-31-21-11-7-4-8-12-21/h3-16,23,32H,1-2H3
InChIKey NKUWCAPUFXIUAM-UHFFFAOYSA-N
Mol Weight 523.98 g/mol
Molecular Formula C28H22ClN7O2
Exact Mass 523.152351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73oY8PqOPZS
Name 2,7-Dimethyl-8-phenylazo-3-[N-(4-chlorophenyl)-2-oxo-2-phenyl-ethanehydrazonoyl)]-pyrazolo[1,5-a]pyrimidin-4(3H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22ClN7O2
InChI InChI=1S/C28H22ClN7O2/c1-17-23(25(26(37)19-9-5-3-6-10-19)34-32-22-15-13-20(29)14-16-22)28(38)36-27(30-17)24(18(2)35-36)33-31-21-11-7-4-8-12-21/h3-16,23,32H,1-2H3
InChIKey NKUWCAPUFXIUAM-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-Q1000-EX or GCMS 5988-A HP
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.a16
Molecular Weight 523.984 g/mol
SMILES N(N=C(C1C(=Nc2[n](nc(c2N=Nc2ccccc2)C)C1=O)C)C(=O)c1ccccc1)c1ccc(cc1)Cl
SPLASH splash10-0ckc-1691570000-8a3aca04ca0eba7f7364
Source of Spectrum ARK-2009-167-3l
Wiley ID 1869617