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9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
SpectraBase Compound ID JtLsK6xXVkL
InChI InChI=1S/C21H18F3N3O3/c1-29-17-8-12-6-7-27-16(15(12)10-18(17)30-2)11-19(26-20(27)28)25-14-5-3-4-13(9-14)21(22,23)24/h3-5,8-11H,6-7H2,1-2H3,(H,25,26,28)
InChIKey SOCQMCMZBNFSPU-UHFFFAOYSA-N
Mol Weight 417.39 g/mol
Molecular Formula C21H18F3N3O3
Exact Mass 417.130026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J5wGh2vWBPG
Name 9,10-dimethoxy-2-[3-(trifluoromethyl)anilino]-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/C21H18F3N3O3/c1-29-17-8-12-6-7-27-16(15(12)10-18(17)30-2)11-19(26-20(27)28)25-14-5-3-4-13(9-14)21(22,23)24/h3-5,8-11H,6-7H2,1-2H3,(H,25,26,28)
InChIKey SOCQMCMZBNFSPU-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22276
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: D58484; Labnumber: NC_0058-5001; SBI_ID: SBI-022280
Temperature 306 °C