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(5E)-5-{1-[(3-hydroxypropyl)amino]propylidene}-1-(4-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 9McjSMgVhI2
InChI InChI=1S/C17H21N3O4/c1-3-13(18-9-4-10-21)14-15(22)19-17(24)20(16(14)23)12-7-5-11(2)6-8-12/h5-8,18,21H,3-4,9-10H2,1-2H3,(H,19,22,24)/b14-13+
InChIKey NYTFIWBIRHTFLT-BUHFOSPRSA-N
Mol Weight 331.37 g/mol
Molecular Formula C17H21N3O4
Exact Mass 331.153206 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6wCUuuDUrTL
Name (5E)-5-{1-[(3-hydroxypropyl)amino]propylidene}-1-(4-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C17H21N3O4/c1-3-13(18-9-4-10-21)14-15(22)19-17(24)20(16(14)23)12-7-5-11(2)6-8-12/h5-8,18,21H,3-4,9-10H2,1-2H3,(H,19,22,24)/b14-13+
InChIKey NYTFIWBIRHTFLT-BUHFOSPRSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10723
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: E02983; Labnumber: KKA-0212A-1281; SBI_ID: SBI-010726
Synonyms 5-{1-[(3-hydroxypropyl)amino]propylidene}-1-(4-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 318 °C