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4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-[(3-methylbutyl)thio]-3-phenyl-
SpectraBase Compound ID 3bXVDixMGiA
InChI InChI=1S/C22H26N2OS2/c1-15(2)13-14-26-22-23-20-19(17-11-7-4-8-12-18(17)27-20)21(25)24(22)16-9-5-3-6-10-16/h3,5-6,9-10,15H,4,7-8,11-14H2,1-2H3
InChIKey NVVNINLKTUDDIE-UHFFFAOYSA-N
Mol Weight 398.58 g/mol
Molecular Formula C22H26N2OS2
Exact Mass 398.148656 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2KCzDCoXJZ1
Name 4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-[(3-methylbutyl)thio]-3-phenyl-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H26N2OS2/c1-15(2)13-14-26-22-23-20-19(17-11-7-4-8-12-18(17)27-20)21(25)24(22)16-9-5-3-6-10-16/h3,5-6,9-10,15H,4,7-8,11-14H2,1-2H3
InChIKey NVVNINLKTUDDIE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_85
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/10318329