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Butyl.2-(1-(4-methoxybenzyl)-4-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-6-yl)acetate
SpectraBase Compound ID 3OyeBOKiHN5
InChI InChI=1S/C27H29N3O4/c1-4-5-15-34-24(31)17-21-16-19(2)25-26(28-21)29(18-20-11-13-23(33-3)14-12-20)30(27(25)32)22-9-7-6-8-10-22/h6-14,16H,4-5,15,17-18H2,1-3H3
InChIKey JEGKMVYVADPCKI-UHFFFAOYSA-N
Mol Weight 459.55 g/mol
Molecular Formula C27H29N3O4
Exact Mass 459.215806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JtR9ac4CJpb
Name Butyl.2-(1-(4-methoxybenzyl)-4-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-6-yl)acetate
Alternate Name(s) 2-[1-[(4-methoxyphenyl)methyl]-4-methyl-3-oxo-2-phenyl-6-pyrazolo[3,4-b]pyridinyl]acetic acid butyl ester butyl 2-[1-[(4-methoxyphenyl)methyl]-4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]pyridin-6-yl]acetate butyl 2-[1-[(4-methoxyphenyl)methyl]-4-methyl-3-oxo-2-phenyl-pyrazolo[3,4-b]pyridin-6-yl]acetate butyl 2-[1-[(4-methoxyphenyl)methyl]-4-methyl-3-oxidanylidene-2-phenyl-pyrazolo[3,4-b]pyridin-6-yl]ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C27H29N3O4
InChI InChI=1S/C27H29N3O4/c1-4-5-15-34-24(31)17-21-16-19(2)25-26(28-21)29(18-20-11-13-23(33-3)14-12-20)30(27(25)32)22-9-7-6-8-10-22/h6-14,16H,4-5,15,17-18H2,1-3H3
InChIKey JEGKMVYVADPCKI-UHFFFAOYSA-N
Molecular Weight 459.546 g/mol
SMILES c12N(N(C(c2c(C)cc(n1)CC(=O)OCCCC)=O)c1ccccc1)Cc1ccc(cc1)OC
SPLASH splash10-02t9-0900800000-06ab1244d6ce0b2be202
Source of Spectrum Y-46-1180-9
Wiley ID 1666972