John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=833HRJyXma3 SpectraBase Spectrum ID=2W8hBJujx2X

(accessed ).
ETHYL-PHENYLALANYLGLYCYLGLYCINE-TRIFLUOROACETATE
SpectraBase Compound ID 833HRJyXma3
InChI InChI=1S/C15H21N3O4.C2HF3O2/c1-2-22-14(20)10-17-13(19)9-18-15(21)12(16)8-11-6-4-3-5-7-11;3-2(4,5)1(6)7/h3-7,12H,2,8-10,16H2,1H3,(H,17,19)(H,18,21);(H,6,7)/t12-;/m0./s1
InChIKey ODWYSSWXZYIXID-YDALLXLXSA-N
Mol Weight 421.373 g/mol
Molecular Formula C17H22F3N3O6
Exact Mass 421.14607 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2W8hBJujx2X
Name ETHYL-PHENYLALANYLGLYCYLGLYCINE-TRIFLUOROACETATE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22F3N3O6
InChI InChI=1S/C15H21N3O4.C2HF3O2/c1-2-22-14(20)10-17-13(19)9-18-15(21)12(16)8-11-6-4-3-5-7-11;3-2(4,5)1(6)7/h3-7,12H,2,8-10,16H2,1H3,(H,17,19)(H,18,21);(H,6,7)/t12-;/m0./s1
InChIKey ODWYSSWXZYIXID-YDALLXLXSA-N
Literature Reference Author H.R.KRICHELDORF
Literature Reference Citation ORG.MAGN.RES.,15,162(1981)
Literature Reference DOI 10.1002/mrc.1270150211
Solvent DMSO
Source File Reference UWCS17557
SpectraBase Batch ID F2Kw1KjZLRq