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5-pyrimidinecarboxylic acid, 2-[(carboxymethyl)thio]-1,4-dihydro-6-methyl-4-phenyl-, ethyl ester

View entire compound with spectra: 1 NMR

5-pyrimidinecarboxylic acid, 2-[(carboxymethyl)thio]-1,4-dihydro-6-methyl-4-phenyl-, ethyl ester
SpectraBase Compound ID 7Y6TxXzxBCL
InChI InChI=1S/C16H18N2O4S/c1-3-22-15(21)13-10(2)17-16(23-9-12(19)20)18-14(13)11-7-5-4-6-8-11/h4-8,14H,3,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKey PIXSYPRIZYBGET-UHFFFAOYSA-N
Mol Weight 334.39 g/mol
Molecular Formula C16H18N2O4S
Exact Mass 334.098728 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4yE4KLMEDS
Name 5-pyrimidinecarboxylic acid, 2-[(carboxymethyl)thio]-1,4-dihydro-6-methyl-4-phenyl-, 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 334.098728238 u
Formula C16H18N2O4S
InChI InChI=1S/C16H18N2O4S/c1-3-22-15(21)13-10(2)17-16(23-9-12(19)20)18-14(13)11-7-5-4-6-8-11/h4-8,14H,3,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKey PIXSYPRIZYBGET-UHFFFAOYSA-N
Molecular Weight 334.390 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1598
Solvent DMSO-d6
Source Vendor ID: NMR/8266281; Lab Info: POV; Lab Number: POV-KX00240
Temperature 29.85 °C