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[1,3-dimethyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetic acid

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[1,3-dimethyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetic acid
SpectraBase Compound ID CEm8D7yHUjz
InChI InChI=1S/C17H17N3O4/c1-10-4-6-11(7-5-10)15-14-12(8-20(15)9-13(21)22)18(2)17(24)19(3)16(14)23/h4-8H,9H2,1-3H3,(H,21,22)
InChIKey KHJBCSQZALHKQT-UHFFFAOYSA-N
Mol Weight 327.34 g/mol
Molecular Formula C17H17N3O4
Exact Mass 327.121906 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AmFMcrCGyzC
Name [1,3-dimethyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-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/C17H17N3O4/c1-10-4-6-11(7-5-10)15-14-12(8-20(15)9-13(21)22)18(2)17(24)19(3)16(14)23/h4-8H,9H2,1-3H3,(H,21,22)
InChIKey KHJBCSQZALHKQT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27885
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: D79537; Labnumber: SC_0129-1064; SBI_ID: SBI-027889
Temperature 308 °C