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2-[(6-isopropyl-4-oxo-3-phenyl-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-[(6-isopropyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid
SpectraBase Compound ID IzSmNy1OZPq
InChI InChI=1S/C21H22N2O4S2/c1-11(2)15-9-14-16(10-27-15)29-18-17(14)19(24)23(13-7-5-4-6-8-13)21(22-18)28-12(3)20(25)26/h4-8,11-12,15H,9-10H2,1-3H3,(H,25,26)
InChIKey QVMWHSJKNAZRJD-UHFFFAOYSA-N
Mol Weight 430.54 g/mol
Molecular Formula C21H22N2O4S2
Exact Mass 430.1021 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Ukh4QVVt71
Name 2-[(6-isopropyl-4-oxo-3-phenyl-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 430.102099540 u
Formula C21H22N2O4S2
InChI InChI=1S/C21H22N2O4S2/c1-11(2)15-9-14-16(10-27-15)29-18-17(14)19(24)23(13-7-5-4-6-8-13)21(22-18)28-12(3)20(25)26/h4-8,11-12,15H,9-10H2,1-3H3,(H,25,26)
InChIKey QVMWHSJKNAZRJD-UHFFFAOYSA-N
Molecular Weight 430.537 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2013
Solvent DMSO-d6
Source Vendor ID: NMR/12278781