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thiazolo[4,5-d]pyrimidine-2(3H)-thione, 7-(hexahydro-1H-azepin-1-yl)-3-phenyl-
SpectraBase Compound ID JLy6HaTmhFg
InChI InChI=1S/C17H18N4S2/c22-17-21(13-8-4-3-5-9-13)16-14(23-17)15(18-12-19-16)20-10-6-1-2-7-11-20/h3-5,8-9,12H,1-2,6-7,10-11H2
InChIKey OGECLICRLKVFFN-UHFFFAOYSA-N
Mol Weight 342.48 g/mol
Molecular Formula C17H18N4S2
Exact Mass 342.097289 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KdcIWQmvB2I
Name thiazolo[4,5-d]pyrimidine-2(3H)-thione, 7-(hexahydro-1H-azepin-1-yl)-3-phenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.097288944 u
Formula C17H18N4S2
InChI InChI=1S/C17H18N4S2/c22-17-21(13-8-4-3-5-9-13)16-14(23-17)15(18-12-19-16)20-10-6-1-2-7-11-20/h3-5,8-9,12H,1-2,6-7,10-11H2
InChIKey OGECLICRLKVFFN-UHFFFAOYSA-N
Molecular Weight 342.479 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11633
Solvent DMSO-d6
Source Vendor ID: NMR/10271227; Lab Info: LP; Lab Number: LP-2902196