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3,4-Dihydro-6,7-dimethoxy-3-(3,4-dimethoxyphenethyl)-4-oxoquinazoline-2-carbonitrile

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3,4-Dihydro-6,7-dimethoxy-3-(3,4-dimethoxyphenethyl)-4-oxoquinazoline-2-carbonitrile
SpectraBase Compound ID HrfIR6YaonG
InChI InChI=1S/C21H21N3O5/c1-26-16-6-5-13(9-17(16)27-2)7-8-24-20(12-22)23-15-11-19(29-4)18(28-3)10-14(15)21(24)25/h5-6,9-11H,7-8H2,1-4H3
InChIKey JNTBMJZGXHQSCC-UHFFFAOYSA-N
Mol Weight 395.42 g/mol
Molecular Formula C21H21N3O5
Exact Mass 395.148121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1IT88YNyEtR
Name 3,4-Dihydro-6,7-dimethoxy-3-(3,4-dimethoxyphenethyl)-4-oxoquinazoline-2-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.148120783 u
Formula C21H21N3O5
InChI InChI=1S/C21H21N3O5/c1-26-16-6-5-13(9-17(16)27-2)7-8-24-20(12-22)23-15-11-19(29-4)18(28-3)10-14(15)21(24)25/h5-6,9-11H,7-8H2,1-4H3
InChIKey JNTBMJZGXHQSCC-UHFFFAOYSA-N
Molecular Weight 395.415 g/mol
SMILES C1(N(C(=NC=2C=C(C(=CC12)OC)OC)C#N)CCC=1C=C(OC)C(=CC1)OC)=O