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4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-(4-methoxyphenyl)-2-thioxo-
SpectraBase Compound ID 7Hd3tC35wA0
InChI InChI=1S/C18H18N2O2S2/c1-22-12-9-7-11(8-10-12)20-17(21)15-13-5-3-2-4-6-14(13)24-16(15)19-18(20)23/h7-10H,2-6H2,1H3,(H,19,23)
InChIKey OPZCBDFJTAVDAR-UHFFFAOYSA-N
Mol Weight 358.47 g/mol
Molecular Formula C18H18N2O2S2
Exact Mass 358.08097 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EV2WxCaSj7Y
Name 4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-(4-methoxyphenyl)-2-thioxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.080970174 u
Formula C18H18N2O2S2
InChI InChI=1S/C18H18N2O2S2/c1-22-12-9-7-11(8-10-12)20-17(21)15-13-5-3-2-4-6-14(13)24-16(15)19-18(20)23/h7-10H,2-6H2,1H3,(H,19,23)
InChIKey OPZCBDFJTAVDAR-UHFFFAOYSA-N
Molecular Weight 358.474 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4713
Solvent DMSO-d6
Source Vendor ID: ZI/9046521; Lab Info: ART; Lab Number: ROS-442