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2-[(3-benzyl-6-isopropyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid

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2-[(3-benzyl-6-isopropyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid
SpectraBase Compound ID LHe4oXTPtty
InChI InChI=1S/C22H24N2O4S2/c1-12(2)16-9-15-17(11-28-16)30-19-18(15)20(25)24(10-14-7-5-4-6-8-14)22(23-19)29-13(3)21(26)27/h4-8,12-13,16H,9-11H2,1-3H3,(H,26,27)
InChIKey YPPBZSBVGNQLBD-UHFFFAOYSA-N
Mol Weight 444.56 g/mol
Molecular Formula C22H24N2O4S2
Exact Mass 444.11775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DcV8D8xdrbw
Name 2-[(3-benzyl-6-isopropyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.117749605 u
Formula C22H24N2O4S2
InChI InChI=1S/C22H24N2O4S2/c1-12(2)16-9-15-17(11-28-16)30-19-18(15)20(25)24(10-14-7-5-4-6-8-14)22(23-19)29-13(3)21(26)27/h4-8,12-13,16H,9-11H2,1-3H3,(H,26,27)
InChIKey YPPBZSBVGNQLBD-UHFFFAOYSA-N
Molecular Weight 444.564 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1989
Solvent DMSO-d6
Source Vendor ID: NMR/12278751