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3-benzyl-9-(2-furylmethyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
SpectraBase Compound ID 1b2lKIURVLf
InChI InChI=1S/C21H21N5O3/c1-23-18-17(19(27)26(21(23)28)13-15-7-3-2-4-8-15)25-11-6-10-24(20(25)22-18)14-16-9-5-12-29-16/h2-5,7-9,12H,6,10-11,13-14H2,1H3
InChIKey HERFDNAYXLHLID-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 BsPssREJ57X
Name 3-benzyl-9-(2-furylmethyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
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/C21H21N5O3/c1-23-18-17(19(27)26(21(23)28)13-15-7-3-2-4-8-15)25-11-6-10-24(20(25)22-18)14-16-9-5-12-29-16/h2-5,7-9,12H,6,10-11,13-14H2,1H3
InChIKey HERFDNAYXLHLID-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3804
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: D96279; Labnumber: SC_0369-2412; SBI_ID: SBI-003806
Temperature 318 °C