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5-pyrimidinecarboxylic acid, 4-(6-bromo-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 2-(methylthio)ethyl ester

View entire compound with spectra: 1 NMR

5-pyrimidinecarboxylic acid, 4-(6-bromo-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 2-(methylthio)ethyl ester
SpectraBase Compound ID CczVgA2qYns
InChI InChI=1S/C16H17BrN2O5S/c1-8-13(15(20)22-3-4-25-2)14(19-16(21)18-8)9-5-11-12(6-10(9)17)24-7-23-11/h5-6,14H,3-4,7H2,1-2H3,(H2,18,19,21)
InChIKey CBUOVBLYVDWZGQ-UHFFFAOYSA-N
Mol Weight 429.29 g/mol
Molecular Formula C16H17BrN2O5S
Exact Mass 428.004156 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GPOTQpHqtEw
Name 5-pyrimidinecarboxylic acid, 4-(6-bromo-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 2-(methylthio)ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.004155824 u
Formula C16H17BrN2O5S
InChI InChI=1S/C16H17BrN2O5S/c1-8-13(15(20)22-3-4-25-2)14(19-16(21)18-8)9-5-11-12(6-10(9)17)24-7-23-11/h5-6,14H,3-4,7H2,1-2H3,(H2,18,19,21)
InChIKey CBUOVBLYVDWZGQ-UHFFFAOYSA-N
Molecular Weight 429.285 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_317
Solvent DMSO-d6
Source Vendor ID: ZI/7109429; Lab Info: SAS; Lab Number: SAS-0006153
Temperature 29.85 °C