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methyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

View entire compound with spectra: 1 NMR

methyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID J4mD9vAXifm
InChI InChI=1S/C16H16N2O5S/c1-8-13(15(20)21-3)14(18(9(2)19)16(24)17-8)10-4-5-11-12(6-10)23-7-22-11/h4-6,14H,7H2,1-3H3,(H,17,24)
InChIKey NDOJKSIASCGGHB-UHFFFAOYSA-N
Mol Weight 348.37 g/mol
Molecular Formula C16H16N2O5S
Exact Mass 348.077993 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JlRYQvtY9Om
Name methyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-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/C16H16N2O5S/c1-8-13(15(20)21-3)14(18(9(2)19)16(24)17-8)10-4-5-11-12(6-10)23-7-22-11/h4-6,14H,7H2,1-3H3,(H,17,24)
InChIKey NDOJKSIASCGGHB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16041
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: 987/00003088; Labnumber: 987/00003088218837; VK_ID: VK-016046
Temperature 318 °C