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Methyl 5,6-dihydroxyindole-2-carboxylate, bis(pentafluoropropionate) (ester)

View entire compound with spectra: 1 NMR

Methyl 5,6-dihydroxyindole-2-carboxylate, bis(pentafluoropropionate) (ester)
SpectraBase Compound ID JRBz36gAfOj
InChI InChI=1S/C16H7F10NO6/c1-31-10(28)7-2-5-3-8(32-11(29)13(17,18)15(21,22)23)9(4-6(5)27-7)33-12(30)14(19,20)16(24,25)26/h2-4,27H,1H3
InChIKey NJELNLYKKGODOV-UHFFFAOYSA-N
Mol Weight 499.22 g/mol
Molecular Formula C16H7F10NO6
Exact Mass 499.011369 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ATHVXB9GWm
Name Methyl 5,6-dihydroxyindole-2-carboxylate, bis(pentafluoropropionate) (ester)
Comments Computed using HOSE algorithm
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Exact Mass 499.011368573 u
Formula C16H7F10NO6
InChI InChI=1S/C16H7F10NO6/c1-31-10(28)7-2-5-3-8(32-11(29)13(17,18)15(21,22)23)9(4-6(5)27-7)33-12(30)14(19,20)16(24,25)26/h2-4,27H,1H3
InChIKey NJELNLYKKGODOV-UHFFFAOYSA-N
Molecular Weight 499.217 g/mol
SMILES C1(=C(C=C2C(=C1)NC(=C2)C(OC)=O)OC(=O)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)F