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[8-(benzylamino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetic acid
SpectraBase Compound ID GECU1R2azSw
InChI InChI=1S/C16H17N5O4/c1-19-13-12(14(24)20(2)16(19)25)21(9-11(22)23)15(18-13)17-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,17,18)(H,22,23)
InChIKey AIVYFKOILMDFPM-UHFFFAOYSA-N
Mol Weight 343.34 g/mol
Molecular Formula C16H17N5O4
Exact Mass 343.128054 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DCTNLqpRSr2
Name [8-(benzylamino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetic acid
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/C16H17N5O4/c1-19-13-12(14(24)20(2)16(19)25)21(9-11(22)23)15(18-13)17-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,17,18)(H,22,23)
InChIKey AIVYFKOILMDFPM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6612
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: D16289; Labnumber: UZROM-3387; SBI_ID: SBI-006615
Temperature 318 °C