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4-(6-Chloro-benzo[1,3]dioxol-5-yl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
SpectraBase Compound ID 7lbJG6Fhto7
InChI InChI=1S/C15H15ClN2O4S/c1-3-20-14(19)12-7(2)17-15(23)18-13(12)8-4-10-11(5-9(8)16)22-6-21-10/h4-5,13H,3,6H2,1-2H3,(H2,17,18,23)
InChIKey GKYPGWIYYMMLSM-UHFFFAOYSA-N
Mol Weight 354.81 g/mol
Molecular Formula C15H15ClN2O4S
Exact Mass 354.044106 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DpSfQN0Hw3e
Name ethyl 4-(6-chloro-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/C15H15ClN2O4S/c1-3-20-14(19)12-7(2)17-15(23)18-13(12)8-4-10-11(5-9(8)16)22-6-21-10/h4-5,13H,3,6H2,1-2H3,(H2,17,18,23)
InChIKey GKYPGWIYYMMLSM-UHFFFAOYSA-N
NMR Offset 15.4978
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3940
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: UZI/8106417; UBI_ID: UBI-003941
Temperature 315 °C