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2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(4-methyl-1,3-oxazol-2-yl)acetamide
SpectraBase Compound ID DVFmDKktufp
InChI InChI=1S/C20H13F3N4O4S/c1-10-7-29-19(25-10)27-17(28)8-32-18-12(6-24)13(20(21,22)23)5-14(26-18)11-2-3-15-16(4-11)31-9-30-15/h2-5,7H,8-9H2,1H3,(H,25,27,28)
InChIKey LXBLSJOERWUWLE-UHFFFAOYSA-N
Mol Weight 462.4 g/mol
Molecular Formula C20H13F3N4O4S
Exact Mass 462.060961 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5LS3ueILfYm
Name 2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(4-methyl-1,3-oxazol-2-yl)acetamide
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/C20H13F3N4O4S/c1-10-7-29-19(25-10)27-17(28)8-32-18-12(6-24)13(20(21,22)23)5-14(26-18)11-2-3-15-16(4-11)31-9-30-15/h2-5,7H,8-9H2,1H3,(H,25,27,28)
InChIKey LXBLSJOERWUWLE-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9751
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: D60475; Labnumber: SHES3-0140; SBI_ID: SBI-009754
Temperature 308 °C