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4-[(E)-[1-(5-acetyl-2,4-dihydroxyphenyl)ethylidene]amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
SpectraBase Compound ID DrHaNBRWGxu
InChI InChI=1S/C21H21N3O4/c1-12(16-10-17(14(3)25)19(27)11-18(16)26)22-20-13(2)23(4)24(21(20)28)15-8-6-5-7-9-15/h5-11,26-27H,1-4H3/b22-12+
InChIKey MPHJQVZZZAAQFU-WSDLNYQXSA-N
Mol Weight 379.42 g/mol
Molecular Formula C21H21N3O4
Exact Mass 379.153206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wWAHW8XqHx
Name 4-[(E)-[1-(5-acetyl-2,4-dihydroxyphenyl)ethylidene]amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N3O4
InChI InChI=1S/C21H21N3O4/c1-12(16-10-17(14(3)25)19(27)11-18(16)26)22-20-13(2)23(4)24(21(20)28)15-8-6-5-7-9-15/h5-11,26-27H,1-4H3/b22-12+
InChIKey MPHJQVZZZAAQFU-WSDLNYQXSA-N
Instrument Name MS-5988 GS-MS Hewlett-Packard
Ionization Type EI
Literature Reference DOI 10.1002/zaac.202100245
Molecular Weight 379.416 g/mol
SMILES Oc1c(cc(c(c1)O)C(=O)C)\C(=N\C=1C(N(N(C1C)C)c1ccccc1)=O)C
SPLASH splash10-0a4i-9022000000-11b51709e8093aa4d227
Source of Spectrum DZ-647-2210-Figure 6-A
Wiley ID 1866007