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5-pyrimidinecarboxylic acid, 1,4-dihydro-6-methyl-4-phenyl-2-(2-propenylthio)-, ethyl ester
SpectraBase Compound ID G5kPak6YgRD
InChI InChI=1S/C17H20N2O2S/c1-4-11-22-17-18-12(3)14(16(20)21-5-2)15(19-17)13-9-7-6-8-10-13/h4,6-10,15H,1,5,11H2,2-3H3,(H,18,19)
InChIKey AHHZEFFRIXWKGH-UHFFFAOYSA-N
Mol Weight 316.42 g/mol
Molecular Formula C17H20N2O2S
Exact Mass 316.124549 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E1l6JbuGuas
Name 5-pyrimidinecarboxylic acid, 1,4-dihydro-6-methyl-4-phenyl-2-(2-propenylthio)-, 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 316.124549064 u
Formula C17H20N2O2S
InChI InChI=1S/C17H20N2O2S/c1-4-11-22-17-18-12(3)14(16(20)21-5-2)15(19-17)13-9-7-6-8-10-13/h4,6-10,15H,1,5,11H2,2-3H3,(H,18,19)
InChIKey AHHZEFFRIXWKGH-UHFFFAOYSA-N
Molecular Weight 316.419 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15551
Solvent DMSO-d6
Source Vendor ID: NMR/10230713; Lab Info: AI; Lab Number: AI-S001171