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

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8-hexahydro-1H-azepin-1-yl-3-methyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 1NmK1kRUSm3
InChI InChI=1S/C20H23N5O3/c1-23-17-16(18(27)22-20(23)28)25(13-15(26)14-9-5-4-6-10-14)19(21-17)24-11-7-2-3-8-12-24/h4-6,9-10H,2-3,7-8,11-13H2,1H3,(H,22,27,28)
InChIKey XCOJCSGMDVRISY-UHFFFAOYSA-N
Mol Weight 381.44 g/mol
Molecular Formula C20H23N5O3
Exact Mass 381.18009 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lop3xjJAdjC
Name 8-hexahydro-1H-azepin-1-yl-3-methyl-7-(2-oxo-2-phenylethyl)-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/C20H23N5O3/c1-23-17-16(18(27)22-20(23)28)25(13-15(26)14-9-5-4-6-10-14)19(21-17)24-11-7-2-3-8-12-24/h4-6,9-10H,2-3,7-8,11-13H2,1H3,(H,22,27,28)
InChIKey XCOJCSGMDVRISY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25262
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: D49606; Labnumber: UZROM-3988; SBI_ID: SBI-025266
Temperature 318 °C