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8-hexahydro-1H-azepin-1-yl-3-methyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione

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8-hexahydro-1H-azepin-1-yl-3-methyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID EArA9oySCvf
InChI InChI=1S/C23H25N5O2/c1-26-20-19(21(29)25-23(26)30)28(22(24-20)27-13-6-2-3-7-14-27)15-17-11-8-10-16-9-4-5-12-18(16)17/h4-5,8-12H,2-3,6-7,13-15H2,1H3,(H,25,29,30)
InChIKey CESMWOZTTPHJPX-UHFFFAOYSA-N
Mol Weight 403.49 g/mol
Molecular Formula C23H25N5O2
Exact Mass 403.200825 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7aUUpeuHwGX
Name 8-hexahydro-1H-azepin-1-yl-3-methyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-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/C23H25N5O2/c1-26-20-19(21(29)25-23(26)30)28(22(24-20)27-13-6-2-3-7-14-27)15-17-11-8-10-16-9-4-5-12-18(16)17/h4-5,8-12H,2-3,6-7,13-15H2,1H3,(H,25,29,30)
InChIKey CESMWOZTTPHJPX-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18656
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: D35201; Labnumber: UZROM-3584; SBI_ID: SBI-018659
Temperature 308 °C