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2-(3-chloro-4-methylanilino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one

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2-(3-chloro-4-methylanilino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
SpectraBase Compound ID 5vvdoBoUDHI
InChI InChI=1S/C21H20ClN3O3/c1-12-4-5-14(9-16(12)22)23-20-11-17-15-10-19(28-3)18(27-2)8-13(15)6-7-25(17)21(26)24-20/h4-5,8-11H,6-7H2,1-3H3,(H,23,24,26)
InChIKey JRIALYUKVURKRP-UHFFFAOYSA-N
Mol Weight 397.86 g/mol
Molecular Formula C21H20ClN3O3
Exact Mass 397.119319 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8D3IxufGpsB
Name 2-(3-chloro-4-methylanilino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H20ClN3O3/c1-12-4-5-14(9-16(12)22)23-20-11-17-15-10-19(28-3)18(27-2)8-13(15)6-7-25(17)21(26)24-20/h4-5,8-11H,6-7H2,1-3H3,(H,23,24,26)
InChIKey JRIALYUKVURKRP-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29138
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D91114; Labnumber: NC_0058-5070; SBI_ID: SBI-029142
Temperature 306 °C