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methyl {[6,6-dimethyl-3-(2-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
SpectraBase Compound ID I4rfJON7Yk6
InChI InChI=1S/C21H22N2O4S2/c1-12-7-5-6-8-14(12)23-19(25)17-13-9-21(2,3)27-10-15(13)29-18(17)22-20(23)28-11-16(24)26-4/h5-8H,9-11H2,1-4H3
InChIKey SRNATPLVDXWUOL-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 KyuR26TYZ1S
Name methyl {[6,6-dimethyl-3-(2-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
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/c1-12-7-5-6-8-14(12)23-19(25)17-13-9-21(2,3)27-10-15(13)29-18(17)22-20(23)28-11-16(24)26-4/h5-8H,9-11H2,1-4H3
InChIKey SRNATPLVDXWUOL-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_2009
Solvent DMSO-d6
Source Vendor ID: NMR/12278777