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(5E)-1-heptyl-5-(1H-pyrrol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione

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(5E)-1-heptyl-5-(1H-pyrrol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 68sp8w5gbZb
InChI InChI=1S/C16H21N3O3/c1-2-3-4-5-6-10-19-15(21)13(14(20)18-16(19)22)11-12-8-7-9-17-12/h7-9,11,17H,2-6,10H2,1H3,(H,18,20,22)/b13-11+
InChIKey IWIVLBRRNYTFER-ACCUITESSA-N
Mol Weight 303.36 g/mol
Molecular Formula C16H21N3O3
Exact Mass 303.158292 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Zw7rcBoHLz
Name (5E)-1-heptyl-5-(1H-pyrrol-2-ylmethylene)-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/C16H21N3O3/c1-2-3-4-5-6-10-19-15(21)13(14(20)18-16(19)22)11-12-8-7-9-17-12/h7-9,11,17H,2-6,10H2,1H3,(H,18,20,22)/b13-11+
InChIKey IWIVLBRRNYTFER-ACCUITESSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10785
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: E03117; Labnumber: KV-2610; SBI_ID: SBI-010788
Synonyms 1-heptyl-5-(1H-pyrrol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 308 °C