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KKPGDRWAJBKQGZ-UHFFFAOYSA-M

View entire compound with spectra: 1 NMR

KKPGDRWAJBKQGZ-UHFFFAOYSA-M
SpectraBase Compound ID EVsNUi3b9Fs
InChI InChI=1S/C7H14NO.CHF3O3S/c1-8(2)5-3-7(9)4-6-8;2-1(3,4)8(5,6)7/h3-6H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey KKPGDRWAJBKQGZ-UHFFFAOYSA-M
Mol Weight 277.26 g/mol
Molecular Formula C8H14F3NO4S
Exact Mass 277.059564 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EVSlDEqFkZh
Name KKPGDRWAJBKQGZ-UHFFFAOYSA-M
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H14F3NO4S
InChI InChI=1S/C7H14NO.CHF3O3S/c1-8(2)5-3-7(9)4-6-8;2-1(3,4)8(5,6)7/h3-6H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey KKPGDRWAJBKQGZ-UHFFFAOYSA-M
Literature Reference Author D.YANG,Y.C.YIP,G.S.JIAO,M.K.WONG
Literature Reference Citation J.ORG.CHEM.,63,8952(1998)
Literature Reference DOI 10.1021/jo981270r
Molecular Weight 277.259 g/mol
Sample ID 26522
Solvent CD3CN:D2O