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L-Serine, N,o-bis(2-trifluoromethylbenzoyl)-, methyl ester

View entire compound with spectra: 1 NMR

L-Serine, N,o-bis(2-trifluoromethylbenzoyl)-, methyl ester
SpectraBase Compound ID 6QwPsWrLAHO
InChI InChI=1S/C20H15F6NO5/c1-31-18(30)15(27-16(28)11-6-2-4-8-13(11)19(21,22)23)10-32-17(29)12-7-3-5-9-14(12)20(24,25)26/h2-9,15H,10H2,1H3,(H,27,28)
InChIKey DOQMNTFHNLCGBC-UHFFFAOYSA-N
Mol Weight 463.33 g/mol
Molecular Formula C20H15F6NO5
Exact Mass 463.085442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A5RNt82FWMz
Name L-Serine, N,o-bis(2-trifluoromethylbenzoyl)-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 463.085441560 u
Formula C20H15F6NO5
InChI InChI=1S/C20H15F6NO5/c1-31-18(30)15(27-16(28)11-6-2-4-8-13(11)19(21,22)23)10-32-17(29)12-7-3-5-9-14(12)20(24,25)26/h2-9,15H,10H2,1H3,(H,27,28)
InChIKey DOQMNTFHNLCGBC-UHFFFAOYSA-N
Molecular Weight 463.332 g/mol
SMILES C1=CC=C(C(=C1)C(F)(F)F)C(OCC(C(OC)=O)NC(C=1C(C(F)(F)F)=CC=CC1)=O)=O