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STYELSAMINE-B-TRIFLUOROACETATE
SpectraBase Compound ID 4Mcmf28z0EU
InChI InChI=1S/C19H17N3O2.C2HF3O2/c1-11(23)20-8-6-12-10-16(24)19-17-14(7-9-21-19)13-4-2-3-5-15(13)22-18(12)17;3-2(4,5)1(6)7/h2-5,7,9-10,22,24H,6,8H2,1H3,(H,20,23);(H,6,7)
InChIKey RHLJMHQIMMOHTA-UHFFFAOYSA-N
Mol Weight 433.39 g/mol
Molecular Formula C21H18F3N3O4
Exact Mass 433.124941 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LJs76vrxLXz
Name STYELSAMINE-B-TRIFLUOROACETATE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18F3N3O4
InChI InChI=1S/C19H17N3O2.C2HF3O2/c1-11(23)20-8-6-12-10-16(24)19-17-14(7-9-21-19)13-4-2-3-5-15(13)22-18(12)17;3-2(4,5)1(6)7/h2-5,7,9-10,22,24H,6,8H2,1H3,(H,20,23);(H,6,7)
InChIKey RHLJMHQIMMOHTA-UHFFFAOYSA-N
Literature Reference Author H.K.H.FONG,B.R.COPP
Literature Reference Citation MAR.DRUGS,11,274(2013)
Literature Reference DOI 10.3390/md11020274
Molecular Weight 433.387 g/mol
Source File Reference UWLU74733