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4-(1,3-benzodioxol-5-yl)-6-hydroxy-2-(1-piperidinyl)-5-pyrimidinecarbonitrile

View entire compound with spectra: 1 NMR

4-(1,3-benzodioxol-5-yl)-6-hydroxy-2-(1-piperidinyl)-5-pyrimidinecarbonitrile
SpectraBase Compound ID 4tlw4xXmPKg
InChI InChI=1S/C17H16N4O3/c18-9-12-15(11-4-5-13-14(8-11)24-10-23-13)19-17(20-16(12)22)21-6-2-1-3-7-21/h4-5,8H,1-3,6-7,10H2,(H,19,20,22)
InChIKey JDFFLUSGYBZEGW-UHFFFAOYSA-N
Mol Weight 324.34 g/mol
Molecular Formula C17H16N4O3
Exact Mass 324.12224 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IczFIeNHtJ2
Name 4-(1,3-benzodioxol-5-yl)-6-hydroxy-2-(1-piperidinyl)-5-pyrimidinecarbonitrile
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.122240388 u
Formula C17H16N4O3
InChI InChI=1S/C17H16N4O3/c18-9-12-15(11-4-5-13-14(8-11)24-10-23-13)19-17(20-16(12)22)21-6-2-1-3-7-21/h4-5,8H,1-3,6-7,10H2,(H,19,20,22)
InChIKey JDFFLUSGYBZEGW-UHFFFAOYSA-N
Molecular Weight 324.340 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1523
Solvent DMSO-d6
Source Vendor ID: NMR/12269971