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3,4-Dichloro-benzoic acid 3-(6-amino-5-cyano-3-isopropyl-1,4-dihydro-pyrano[2,3-c]pyrazol-4-yl)-phenyl ester
SpectraBase Compound ID CQdVkY10P4Y
InChI InChI=1S/C23H18Cl2N4O3/c1-11(2)20-19-18(15(10-26)21(27)32-22(19)29-28-20)12-4-3-5-14(8-12)31-23(30)13-6-7-16(24)17(25)9-13/h3-9,11,18H,27H2,1-2H3,(H,28,29)
InChIKey OKBGHQBKXQNCDQ-UHFFFAOYSA-N
Mol Weight 469.33 g/mol
Molecular Formula C23H18Cl2N4O3
Exact Mass 468.075596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9sHM6GcQROj
Name 3,4-Dichloro-benzoic acid 3-(6-amino-5-cyano-3-isopropyl-1,4-dihydro-pyrano[2,3-c]pyrazol-4-yl)-phenyl ester
Alternate Name(s) 3-(6-Amino-5-cyano-3-isopropyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl 3,4-dichlorobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18Cl2N4O3
InChI InChI=1S/C23H18Cl2N4O3/c1-11(2)20-19-18(15(10-26)21(27)32-22(19)29-28-20)12-4-3-5-14(8-12)31-23(30)13-6-7-16(24)17(25)9-13/h3-9,11,18H,27H2,1-2H3,(H,28,29)
InChIKey OKBGHQBKXQNCDQ-UHFFFAOYSA-N
Molecular Weight 469.328 g/mol
SMILES NC1=C(C(c2c(O1)[nH]nc2C(C)C)c1cc(OC(c2cc(Cl)c(cc2)Cl)=O)ccc1)C#N
SPLASH splash10-00b9-2900000000-65969f409710738653bb
Wiley ID 1436832