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L-Tyrosine, N,o-bis(pentafluoropropionyl)-, ethyl ester

View entire compound with spectra: 1 NMR

L-Tyrosine, N,o-bis(pentafluoropropionyl)-, ethyl ester
SpectraBase Compound ID 1JnYrc1vXWY
InChI InChI=1S/C17H13F10NO5/c1-2-32-11(29)10(28-12(30)14(18,19)16(22,23)24)7-8-3-5-9(6-4-8)33-13(31)15(20,21)17(25,26)27/h3-6,10H,2,7H2,1H3,(H,28,30)
InChIKey ZCVKFFLVUQHQJX-UHFFFAOYSA-N
Mol Weight 501.28 g/mol
Molecular Formula C17H13F10NO5
Exact Mass 501.063404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3axaYnkuzQI
Name L-Tyrosine, N,o-bis(pentafluoropropionyl)-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 501.063404148 u
Formula C17H13F10NO5
InChI InChI=1S/C17H13F10NO5/c1-2-32-11(29)10(28-12(30)14(18,19)16(22,23)24)7-8-3-5-9(6-4-8)33-13(31)15(20,21)17(25,26)27/h3-6,10H,2,7H2,1H3,(H,28,30)
InChIKey ZCVKFFLVUQHQJX-UHFFFAOYSA-N
Molecular Weight 501.277 g/mol
SMILES C1(=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O)CC(C(=O)OCC)NC(C(C(F)(F)F)(F)F)=O