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[({[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetyl)amino]acetic acid
SpectraBase Compound ID H722rv6BUG1
InChI InChI=1S/C17H12F3N3O3S/c18-17(19,20)12-6-13(10-4-2-1-3-5-10)23-16(11(12)7-21)27-9-14(24)22-8-15(25)26/h1-6H,8-9H2,(H,22,24)(H,25,26)
InChIKey GADQCYQRLBILDW-UHFFFAOYSA-N
Mol Weight 395.36 g/mol
Molecular Formula C17H12F3N3O3S
Exact Mass 395.055147 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LhDTp0LZG9K
Name [({[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetyl)amino]acetic acid
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/C17H12F3N3O3S/c18-17(19,20)12-6-13(10-4-2-1-3-5-10)23-16(11(12)7-21)27-9-14(24)22-8-15(25)26/h1-6H,8-9H2,(H,22,24)(H,25,26)
InChIKey GADQCYQRLBILDW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5264
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: 122442; Labnumber: MOR-3102; VK_ID: VK-005267
Temperature 318 °C