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Butacaine, N-heptafluorobutyryl-

View entire compound with spectra: 1 NMR

Butacaine, N-heptafluorobutyryl-
SpectraBase Compound ID B7W7ju9UoN9
InChI InChI=1S/C22H29F7N2O3/c1-3-5-12-31(13-6-4-2)14-7-15-34-18(32)16-8-10-17(11-9-16)30-19(33)20(23,24)21(25,26)22(27,28)29/h8-11H,3-7,12-15H2,1-2H3,(H,30,33)
InChIKey UXFLWJGISPUYTN-UHFFFAOYSA-N
Mol Weight 502.47 g/mol
Molecular Formula C22H29F7N2O3
Exact Mass 502.20664 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bd7WvVqrkgs
Name Butacaine, N-heptafluorobutyryl-
Comments Computed using HOSE algorithm
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Exact Mass 502.206639940 u
Formula C22H29F7N2O3
InChI InChI=1S/C22H29F7N2O3/c1-3-5-12-31(13-6-4-2)14-7-15-34-18(32)16-8-10-17(11-9-16)30-19(33)20(23,24)21(25,26)22(27,28)29/h8-11H,3-7,12-15H2,1-2H3,(H,30,33)
InChIKey UXFLWJGISPUYTN-UHFFFAOYSA-N
Molecular Weight 502.474 g/mol
SMILES C1=C(C=CC(=C1)NC(=O)C(F)(C(F)(C(F)(F)F)F)F)C(=O)OCCCN(CCCC)CCCC