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Methyl 2-fluorosulphonyl-3,3,3-trifluoropropanoate, triethylammoniumsalt

View entire compound with spectra: 2 NMR

Methyl 2-fluorosulphonyl-3,3,3-trifluoropropanoate, triethylammoniumsalt
SpectraBase Compound ID DO731w208mA
InChI InChI=1S/C6H15N.C4H3F4O4S/c1-4-7(5-2)6-3;1-12-3(9)2(4(5,6)7)13(8,10)11/h4-6H2,1-3H3;1H3/q;-1/p+1
InChIKey ZYQGGYAZBVWRMT-UHFFFAOYSA-O
Mol Weight 325.32 g/mol
Molecular Formula C10H19F4NO4S
Exact Mass 325.097092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BG2mTOw4KYY
Name Methyl 2-fluorosulphonyl-3,3,3-trifluoropropanoate, triethylammoniumsalt
Comments Computed using HOSE algorithm
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Exact Mass 325.097091918 u
Formula C10H19F4NO4S
InChI InChI=1S/C6H15N.C4H3F4O4S/c1-4-7(5-2)6-3;1-12-3(9)2(4(5,6)7)13(8,10)11/h4-6H2,1-3H3;1H3/q;-1/p+1
InChIKey ZYQGGYAZBVWRMT-UHFFFAOYSA-O
Molecular Weight 325.319 g/mol
SMILES C([NH+](CC)CC)C.[C-](C(F)(F)F)(C(=O)OC)S(=O)(F)=O