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3-HYDROXY-2,3,3a,4,5,6,7,8-OCTAHYDROTHIO-3-(TRIFLUOROMETHYL)CYCLOHEPTAPYRAZOLE-2-CARBOXAMIDE

View entire compound with spectra: 1 FTIR

3-HYDROXY-2,3,3a,4,5,6,7,8-OCTAHYDROTHIO-3-(TRIFLUOROMETHYL)CYCLOHEPTAPYRAZOLE-2-CARBOXAMIDE
SpectraBase Compound ID 574eO34cfW5
InChI InChI=1S/C10H14F3N3OS/c11-10(12,13)9(17)6-4-2-1-3-5-7(6)15-16(9)8(14)18/h6,17H,1-5H2,(H2,14,18)
InChIKey WRFCOWKVSCPOMX-UHFFFAOYSA-N
Mol Weight 281.3 g/mol
Molecular Formula C10H14F3N3OS
Exact Mass 281.080968 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID HRjFdKDti9H
Name 3-HYDROXY-2,3,3a,4,5,6,7,8-OCTAHYDROTHIO-3-(TRIFLUOROMETHYL)CYCLOHEPTAPYRAZOLE-2-CARBOXAMIDE
Source of Sample H. Secor, Philip Morris Research Center, Richmond, Virginia
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14F3N3OS
InChI InChI=1S/C10H14F3N3OS/c11-10(12,13)9(17)6-4-2-1-3-5-7(6)15-16(9)8(14)18/h6,17H,1-5H2,(H2,14,18)
InChIKey WRFCOWKVSCPOMX-UHFFFAOYSA-N
Literature Reference JMCH 14, 997(1971)
Melting Point 116.5-118C
Molecular Weight 281.302002
Synonyms CYCLOHEPTAPYRAZOLE-2-CARBOXAMIDE, 3-HYDROXY-2,3,3A,4,5,6,7,8-OCTAHYDRO- THIO-3-/TRIFLUOROMETHYL/-,
Technique KBr WAFER