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heptyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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heptyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID HfgUjfS3XGN
InChI InChI=1S/C20H25BrN2O5/c1-3-4-5-6-7-8-26-19(24)17-12(2)22-20(25)23-18(17)13-9-15-16(10-14(13)21)28-11-27-15/h9-10,18H,3-8,11H2,1-2H3,(H2,22,23,25)
InChIKey AXLDBZOMLGIKLY-UHFFFAOYSA-N
Mol Weight 453.33 g/mol
Molecular Formula C20H25BrN2O5
Exact Mass 452.094685 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3OxMflHGc0r
Name heptyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
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/C20H25BrN2O5/c1-3-4-5-6-7-8-26-19(24)17-12(2)22-20(25)23-18(17)13-9-15-16(10-14(13)21)28-11-27-15/h9-10,18H,3-8,11H2,1-2H3,(H2,22,23,25)
InChIKey AXLDBZOMLGIKLY-UHFFFAOYSA-N
NMR Offset 17.912
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_31019
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: 1728248; SBI_ID: SBI-031023
Temperature 303 °C