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1H-purine-7-acetonitrile, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-
SpectraBase Compound ID CY3ecRWdtnu
InChI InChI=1S/C9H9N5O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,4H2,1-2H3
InChIKey JKVAWOOMPGXBKF-UHFFFAOYSA-N
Mol Weight 219.2 g/mol
Molecular Formula C9H9N5O2
Exact Mass 219.075625 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8jOiUcii11l
Name 1H-purine-7-acetonitrile, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.075624548 u
Formula C9H9N5O2
InChI InChI=1S/C9H9N5O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,4H2,1-2H3
InChIKey JKVAWOOMPGXBKF-UHFFFAOYSA-N
Molecular Weight 219.204 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2280
Solvent DMSO-d6
Source Vendor ID: ZI/9017918; Lab Info: SAD; Lab Number: SAD-e180241
Temperature 29.85 °C