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ethyl 1-({[4-cyano-1-(trifluoromethyl)-5,6,7,8-tetrahydro-3-isoquinolinyl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
SpectraBase Compound ID 5uQXQsHkHrn
InChI InChI=1S/C18H17F3N4O2S/c1-2-27-17(26)14-7-8-25(24-14)10-28-16-13(9-22)11-5-3-4-6-12(11)15(23-16)18(19,20)21/h7-8H,2-6,10H2,1H3
InChIKey WRJTUAGDCHSYAX-UHFFFAOYSA-N
Mol Weight 410.42 g/mol
Molecular Formula C18H17F3N4O2S
Exact Mass 410.102431 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7lVtXHB7xH1
Name ethyl 1-({[4-cyano-1-(trifluoromethyl)-5,6,7,8-tetrahydro-3-isoquinolinyl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
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/C18H17F3N4O2S/c1-2-27-17(26)14-7-8-25(24-14)10-28-16-13(9-22)11-5-3-4-6-12(11)15(23-16)18(19,20)21/h7-8H,2-6,10H2,1H3
InChIKey WRJTUAGDCHSYAX-UHFFFAOYSA-N
NMR Offset 15.3512
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UZI_26187_16579
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: UZI/1262999; Labnumber: OLG0929; UZI_ID: UZI-016583
Temperature 318 °C