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4-[ .alpha.-(3'-Methyl-5'-oxo-2'-oxazol-4'-yl)benzyl]-3-methyl-1-phenyl-2-pyrazolin-5-one
SpectraBase Compound ID B0p13G1oDbk
InChI InChI=1S/C21H19N3O3/c1-13-17(20(25)24(22-13)16-11-7-4-8-12-16)19(15-9-5-3-6-10-15)18-14(2)23-27-21(18)26/h3-12,17-19H,1-2H3/t17-,18-,19+/m1/s1
InChIKey IHPSAVMVTGIBRZ-QRVBRYPASA-N
Mol Weight 361.4 g/mol
Molecular Formula C21H19N3O3
Exact Mass 361.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6uHMQUeIkhk
Name 4-[ .alpha.-(3'-Methyl-5'-oxo-2'-oxazol-4'-yl)benzyl]-3-methyl-1-phenyl-2-pyrazolin-5-one
Alternate Name(s) (4S)-3-methyl-4-[(S)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-phenylmethyl]-4H-isoxazol-5-one (4S)-3-methyl-4-[(S)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-phenylmethyl]-4H-1,2-oxazol-5-one (4S)-3-methyl-4-[(S)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-phenyl-methyl]-4H-isoxazol-5-one (4S)-3-methyl-4-[(S)-[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]-phenyl-methyl]-4H-1,2-oxazol-5-one
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Formula C21H19N3O3
InChI InChI=1S/C21H19N3O3/c1-13-17(20(25)24(22-13)16-11-7-4-8-12-16)19(15-9-5-3-6-10-15)18-14(2)23-27-21(18)26/h3-12,17-19H,1-2H3/t17-,18-,19+/m1/s1
InChIKey IHPSAVMVTGIBRZ-QRVBRYPASA-N
Molecular Weight 361.401 g/mol
SMILES [C@@]1(C(N(c2ccccc2)N=C1C)=O)([C@@]([C@@]1(C(ON=C1C)=O)[H])(c1ccccc1)[H])[H]
SPLASH splash10-03di-0090000000-650b1970758097ac64f2
Source of Spectrum SK-31-1341-6
Wiley ID 882032