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3-allyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-isopropyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

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3-allyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-isopropyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID LgoUfaLpyni
InChI InChI=1S/C23H23BrN2O3S2/c1-4-9-26-22(28)20-16-10-18(13(2)3)29-11-19(16)31-21(20)25-23(26)30-12-17(27)14-5-7-15(24)8-6-14/h4-8,13,18H,1,9-12H2,2-3H3
InChIKey XCBBPKRDTLDPEQ-UHFFFAOYSA-N
Mol Weight 519.47 g/mol
Molecular Formula C23H23BrN2O3S2
Exact Mass 518.033348 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GAzm5NNk7kN
Name 3-allyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-isopropyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.033347954 u
Formula C23H23BrN2O3S2
InChI InChI=1S/C23H23BrN2O3S2/c1-4-9-26-22(28)20-16-10-18(13(2)3)29-11-19(16)31-21(20)25-23(26)30-12-17(27)14-5-7-15(24)8-6-14/h4-8,13,18H,1,9-12H2,2-3H3
InChIKey XCBBPKRDTLDPEQ-UHFFFAOYSA-N
Molecular Weight 519.472 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2032
Solvent DMSO-d6
Source Vendor ID: NMR/12278801