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2-Amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-3-pyridinecarbonitrile

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2-Amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-3-pyridinecarbonitrile
SpectraBase Compound ID BESbAtYT3Rr
InChI InChI=1S/C18H14F6N4S/c1-9-6-16(17(19,20)21,18(22,23)24)12(8-26)14(27)28(9)15-11(7-25)10-4-2-3-5-13(10)29-15/h6H,2-5,27H2,1H3
InChIKey HTIYVXLKEDFKGO-UHFFFAOYSA-N
Mol Weight 432.39 g/mol
Molecular Formula C18H14F6N4S
Exact Mass 432.084337 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6xed2v4fbcd
Name 3-pyridinecarbonitrile, 2-amino-1-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-1,4-dihydro-6-methyl-4,4-bis(trifluoromethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.084336619 u
Formula C18H14F6N4S
InChI InChI=1S/C18H14F6N4S/c1-9-6-16(17(19,20)21,18(22,23)24)12(8-26)14(27)28(9)15-11(7-25)10-4-2-3-5-13(10)29-15/h6H,2-5,27H2,1H3
InChIKey HTIYVXLKEDFKGO-UHFFFAOYSA-N
Molecular Weight 432.388 g/mol
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3937
Solvent DMSO-d6
Source Vendor ID: NMR/9264105; Lab Info: AU; Lab Number: AU-N000998
Temperature 23.85 °C