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5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine, 6,7-dihydro-4-[[(4-methylphenyl)methyl]thio]-
SpectraBase Compound ID 3VWCbJ8OCO
InChI InChI=1S/C17H16N2S2/c1-11-5-7-12(8-6-11)9-20-16-15-13-3-2-4-14(13)21-17(15)19-10-18-16/h5-8,10H,2-4,9H2,1H3
InChIKey NMMLPCJIFZNZRA-UHFFFAOYSA-N
Mol Weight 312.45 g/mol
Molecular Formula C17H16N2S2
Exact Mass 312.075491 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CALYbsi68R3
Name 5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine, 6,7-dihydro-4-[[(4-methylphenyl)methyl]thio]-
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/C17H16N2S2/c1-11-5-7-12(8-6-11)9-20-16-15-13-3-2-4-14(13)21-17(15)19-10-18-16/h5-8,10H,2-4,9H2,1H3
InChIKey NMMLPCJIFZNZRA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_290
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/11219992