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MAJOR_ISOMER

View entire compound with spectra: 2 NMR

MAJOR_ISOMER
SpectraBase Compound ID KALPNvhI4gF
InChI InChI=1S/C12H14F3N3OS/c1-10(8-5-3-2-4-6-8)7-11(19,12(13,14)15)17-18(10)9(16)20/h2-6,17,19H,7H2,1H3,(H2,16,20)
InChIKey QVINCRKYGBCZHF-UHFFFAOYSA-N
Mol Weight 305.32 g/mol
Molecular Formula C12H14F3N3OS
Exact Mass 305.080968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DhQI5yfbgwn
Name MAJOR_ISOMER
Compound Number XXI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14F3N3OS
InChI InChI=1S/C12H14F3N3OS/c1-10(8-5-3-2-4-6-8)7-11(19,12(13,14)15)17-18(10)9(16)20/h2-6,17,19H,7H2,1H3,(H2,16,20)
InChIKey QVINCRKYGBCZHF-UHFFFAOYSA-N
Literature Reference Author A.V.SANIN,V.G.NENAIDENKO,V.S.KUZMIN,E.S.BALENKOVA
Literature Reference Citation CHEM.HET.COMP.,34,558(1998)
Literature Reference DOI 10.1007/bf02290939
Molecular Weight 305.318 g/mol
Solvent CDCl3_OR_CD3CN_OR_CD3OD_OR_DMSO-
Source File Reference UWMZ15169