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N,N-dimethylmethanaminium 5-heptanoyl-3-(4-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinolate

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N,N-dimethylmethanaminium 5-heptanoyl-3-(4-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinolate
SpectraBase Compound ID AB4kMKNK5HM
InChI InChI=1S/C18H22N2O5.C3H9N/c1-3-4-5-6-7-14(21)15-16(22)19-18(24)20(17(15)23)12-8-10-13(25-2)11-9-12;1-4(2)3/h8-11,23H,3-7H2,1-2H3,(H,19,22,24);1-3H3
InChIKey KQJVRLUCNYHVKP-UHFFFAOYSA-N
Mol Weight 405.5 g/mol
Molecular Formula C21H31N3O5
Exact Mass 405.226371 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AI8O1ptdOXu
Name N,N-dimethylmethanaminium 5-heptanoyl-3-(4-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinolate
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/C18H22N2O5.C3H9N/c1-3-4-5-6-7-14(21)15-16(22)19-18(24)20(17(15)23)12-8-10-13(25-2)11-9-12;1-4(2)3/h8-11,23H,3-7H2,1-2H3,(H,19,22,24);1-3H3
InChIKey KQJVRLUCNYHVKP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7385
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: D29697; Labnumber: KVEX-30060; SBI_ID: SBI-007388
Temperature 318 °C