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1-piperazinecarbothioamide, 4-[4-cyano-5,6,7,8-tetrahydro-1-(1-methylethyl)-3-isoquinolinyl]-N-(phenylmethyl)-
SpectraBase Compound ID JcFI6lf0bKe
InChI InChI=1S/C25H31N5S/c1-18(2)23-21-11-7-6-10-20(21)22(16-26)24(28-23)29-12-14-30(15-13-29)25(31)27-17-19-8-4-3-5-9-19/h3-5,8-9,18H,6-7,10-15,17H2,1-2H3,(H,27,31)
InChIKey VDTVSDUUWKADAX-UHFFFAOYSA-N
Mol Weight 433.62 g/mol
Molecular Formula C25H31N5S
Exact Mass 433.230017 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2OcWHn0J2N3
Name 1-piperazinecarbothioamide, 4-[4-cyano-5,6,7,8-tetrahydro-1-(1-methylethyl)-3-isoquinolinyl]-N-(phenylmethyl)-
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/C25H31N5S/c1-18(2)23-21-11-7-6-10-20(21)22(16-26)24(28-23)29-12-14-30(15-13-29)25(31)27-17-19-8-4-3-5-9-19/h3-5,8-9,18H,6-7,10-15,17H2,1-2H3,(H,27,31)
InChIKey VDTVSDUUWKADAX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_3532
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/11278508