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rcs-4 M9 Metabolite, bis(trifluoroacetate)

View entire compound with spectra: 1 NMR

rcs-4 M9 Metabolite, bis(trifluoroacetate)
SpectraBase Compound ID AAD3uEnZJjb
InChI InChI=1S/C24H19F6NO5/c1-14(35-21(33)23(25,26)27)5-4-12-31-13-18(17-6-2-3-7-19(17)31)20(32)15-8-10-16(11-9-15)36-22(34)24(28,29)30/h2-3,6-11,13-14H,4-5,12H2,1H3
InChIKey QRJYHHZXVCHOAI-UHFFFAOYSA-N
Mol Weight 515.41 g/mol
Molecular Formula C24H19F6NO5
Exact Mass 515.116742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5OKXZN3qqs9
Name rcs-4 M9 Metabolite, bis(trifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 515.116741689 u
Formula C24H19F6NO5
InChI InChI=1S/C24H19F6NO5/c1-14(35-21(33)23(25,26)27)5-4-12-31-13-18(17-6-2-3-7-19(17)31)20(32)15-8-10-16(11-9-15)36-22(34)24(28,29)30/h2-3,6-11,13-14H,4-5,12H2,1H3
InChIKey QRJYHHZXVCHOAI-UHFFFAOYSA-N
Molecular Weight 515.408 g/mol
SMILES C(=O)(C=1C2=C(C=CC=C2)N(C1)CCCC(C)OC(C(F)(F)F)=O)C1=CC=C(C=C1)OC(C(F)(F)F)=O