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6-cyclopropyl-2-[(2-oxopropyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile
SpectraBase Compound ID 8EB9BJllwGq
InChI InChI=1S/C13H11F3N2OS/c1-7(19)6-20-12-9(5-17)10(13(14,15)16)4-11(18-12)8-2-3-8/h4,8H,2-3,6H2,1H3
InChIKey YUBSIDNOATYINU-UHFFFAOYSA-N
Mol Weight 300.3 g/mol
Molecular Formula C13H11F3N2OS
Exact Mass 300.054419 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6vGoJQ3s393
Name 6-cyclopropyl-2-[(2-oxopropyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile
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/C13H11F3N2OS/c1-7(19)6-20-12-9(5-17)10(13(14,15)16)4-11(18-12)8-2-3-8/h4,8H,2-3,6H2,1H3
InChIKey YUBSIDNOATYINU-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9770
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: D60495; Labnumber: SHES3-0180; SBI_ID: SBI-009773
Temperature 308 °C