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benzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[[(3,5-dimethyl-4-isoxazolyl)methyl]thio]-5,6,7,8-tetrahydro-7-methyl-3-phenyl-

View entire compound with spectra: 1 NMR

benzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[[(3,5-dimethyl-4-isoxazolyl)methyl]thio]-5,6,7,8-tetrahydro-7-methyl-3-phenyl-
SpectraBase Compound ID 2yqlMIKjFy4
InChI InChI=1S/C23H23N3O2S2/c1-13-9-10-17-19(11-13)30-21-20(17)22(27)26(16-7-5-4-6-8-16)23(24-21)29-12-18-14(2)25-28-15(18)3/h4-8,13H,9-12H2,1-3H3
InChIKey NEXYBLQQFDKIPC-UHFFFAOYSA-N
Mol Weight 437.58 g/mol
Molecular Formula C23H23N3O2S2
Exact Mass 437.123169 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3W773pPicwL
Name benzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[[(3,5-dimethyl-4-isoxazolyl)methyl]thio]-5,6,7,8-tetrahydro-7-methyl-3-phenyl-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H23N3O2S2/c1-13-9-10-17-19(11-13)30-21-20(17)22(27)26(16-7-5-4-6-8-16)23(24-21)29-12-18-14(2)25-28-15(18)3/h4-8,13H,9-12H2,1-3H3
InChIKey NEXYBLQQFDKIPC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_674
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11228339