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2-(4-methoxyanilino)-4-(4-methoxyphenyl)-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
SpectraBase Compound ID HPDBnyCQxMu
InChI InChI=1S/C21H21N5O3/c1-13-12-18(27)26-19(14-4-8-16(28-2)9-5-14)24-20(25-21(26)22-13)23-15-6-10-17(29-3)11-7-15/h4-12,19H,1-3H3,(H2,22,23,24,25)
InChIKey XLMMIMKRKDITRW-UHFFFAOYSA-N
Mol Weight 391.43 g/mol
Molecular Formula C21H21N5O3
Exact Mass 391.16444 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 84KVuxm6ZXM
Name 2-(4-methoxyanilino)-4-(4-methoxyphenyl)-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H21N5O3/c1-13-12-18(27)26-19(14-4-8-16(28-2)9-5-14)24-20(25-21(26)22-13)23-15-6-10-17(29-3)11-7-15/h4-12,19H,1-3H3,(H2,22,23,24,25)
InChIKey XLMMIMKRKDITRW-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35108
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: E83382; SBI_ID: SBI-035112
Temperature 298 °C