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3,7,7-trimethyl-4-(3,4,5-trimethoxyphenyl)-2,4,6,8-tetrahydro-1H-pyrazolo[3,4-b]quinolin-5-one

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3,7,7-trimethyl-4-(3,4,5-trimethoxyphenyl)-2,4,6,8-tetrahydro-1H-pyrazolo[3,4-b]quinolin-5-one
SpectraBase Compound ID 73J4PcVXVDH
InChI InChI=1S/C22H27N3O4/c1-11-17-18(12-7-15(27-4)20(29-6)16(8-12)28-5)19-13(23-21(17)25-24-11)9-22(2,3)10-14(19)26/h7-8,18H,9-10H2,1-6H3,(H2,23,24,25)
InChIKey HOHCJYWGQSILAI-UHFFFAOYSA-N
Mol Weight 397.48 g/mol
Molecular Formula C22H27N3O4
Exact Mass 397.200156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kq6HOUaGFtV
Name 3,7,7-Trimethyl-4-(3,4,5-trimethoxyphenyl)-2,4,6,8-tetrahydro-1H-pyrazolo[3,4-B]quinolin-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.200156357 u
Formula C22H27N3O4
InChI InChI=1S/C22H27N3O4/c1-11-17-18(12-7-15(27-4)20(29-6)16(8-12)28-5)19-13(23-21(17)25-24-11)9-22(2,3)10-14(19)26/h7-8,18H,9-10H2,1-6H3,(H2,23,24,25)
InChIKey HOHCJYWGQSILAI-UHFFFAOYSA-N
Molecular Weight 397.475 g/mol
SMILES C=12NC=3CC(CC(C3C(C2=C(NN1)C)C=1C=C(C(=C(C1)OC)OC)OC)=O)(C)C