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3-(p-HYDROXYPHENETHYL)-4-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-DELTA^2-1,2,4-TRIAZOLINE-5-THIONE
SpectraBase Compound ID 3pQOjpLDq64
InChI InChI=1S/C17H14F3N3OS/c18-17(19,20)12-2-1-3-13(10-12)23-15(21-22-16(23)25)9-6-11-4-7-14(24)8-5-11/h1-5,7-8,10,24H,6,9H2,(H,22,25)
InChIKey ROVLWEOFWYJBHX-UHFFFAOYSA-N
Mol Weight 365.37 g/mol
Molecular Formula C17H14F3N3OS
Exact Mass 365.080968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JjxZZ4j4BBI
Name 3-(p-HYDROXYPHENETHYL)-4-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-delta2-1,2,4-TRIAZOLINE-5-THIONE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14F3N3OS
InChI InChI=1S/C17H14F3N3OS/c18-17(19,20)12-2-1-3-13(10-12)23-15(21-22-16(23)25)9-6-11-4-7-14(24)8-5-11/h1-5,7-8,10,24H,6,9H2,(H,22,25)
InChIKey ROVLWEOFWYJBHX-UHFFFAOYSA-N
Molecular Weight 365.38
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms TRIAZOLINE-5-THIONE, D<2-1,2,4-, 3-/P-HYDROXYPHENETHYL/-4-/A,A,A-TRIFLUORO-M-TOLYL/-,