John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=FMr4dlnPRBM SpectraBase Spectrum ID=JyVKoQj4V2m

(accessed ).
WQORIWUQLYKJKC-SUXNRVHTSA-N
SpectraBase Compound ID FMr4dlnPRBM
InChI InChI=1S/C18H37N5O10.5C2H4O2/c19-2-6-10(25)12(27)8(23)17(30-6)32-15-5(22)1-4(21)9(24)16(15)33-18-14(29)13(28)11(26)7(3-20)31-18;5*1-2(3)4/h4-18,24-29H,1-3,19-23H2;5*1H3,(H,3,4)/t4-,5+,6+,7-,8+,9+,10+,11+,12+,13+,14-,15-,16-,17+,18+;;;;;/m1...../s1
InChIKey WQORIWUQLYKJKC-SUXNRVHTSA-N
Mol Weight 783.779 g/mol
Molecular Formula C28H57N5O20
Exact Mass 783.35969 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JyVKoQj4V2m
Name WQORIWUQLYKJKC-SUXNRVHTSA-N
Compound Number TC004-ACETATE-SALT
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H57N5O20
InChI InChI=1S/C18H37N5O10.5C2H4O2/c19-2-6-10(25)12(27)8(23)17(30-6)32-15-5(22)1-4(21)9(24)16(15)33-18-14(29)13(28)11(26)7(3-20)31-18;5*1-2(3)4/h4-18,24-29H,1-3,19-23H2;5*1H3,(H,3,4)/t4-,5+,6+,7-,8+,9+,10+,11+,12+,13+,14-,15-,16-,17+,18+;;;;;/m1...../s1
InChIKey WQORIWUQLYKJKC-SUXNRVHTSA-N
Literature Reference Author C.W.T.CHANG,Y.HUI,B.ELCHERT,J.WANG,J.LI,R.RAI
Literature Reference Citation ORG.LETTERS,4,4603(2002)
Literature Reference DOI 10.1021/ol0269042
Molecular Weight 783.782 g/mol
Sample ID 37971
Solvent D2O
SpectraBase Batch ID IcQRzufBhBy