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PGJQBENIZNAGLR-VGFMBPFFSA-N
SpectraBase Compound ID bmv1ngUc94
InChI InChI=1S/C18H28N5O13P/c19-18-21-15-9(16(30)22-18)20-5-23(15)17-14(29)12(27)8(36-17)4-34-37(31,32)33-2-1-6-10(25)13(28)11(26)7(3-24)35-6/h5-8,10-14,17,24-29H,1-4H2,(H,31,32)(H3,19,21,22,30)/t6-,7-,8+,10-,11-,12+,13-,14+,17+/m1/s1
InChIKey PGJQBENIZNAGLR-VGFMBPFFSA-N
Mol Weight 553.42 g/mol
Molecular Formula C18H28N5O13P
Exact Mass 553.142123 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JMtUdUJogAp
Name PGJQBENIZNAGLR-VGFMBPFFSA-N
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H27N5O13P
InChI InChI=1S/C18H28N5O13P/c19-18-21-15-9(16(30)22-18)20-5-23(15)17-14(29)12(27)8(36-17)4-34-37(31,32)33-2-1-6-10(25)13(28)11(26)7(3-24)35-6/h5-8,10-14,17,24-29H,1-4H2,(H,31,32)(H3,19,21,22,30)/t6-,7-,8+,10-,11-,12+,13-,14+,17+/m1/s1
InChIKey PGJQBENIZNAGLR-VGFMBPFFSA-N
Literature Reference Author H.J.G.BROXTERMAN,P.A.KOOREMAN,H.VANDERELST,H.C.P.F.ROELEN,G. A.VANDERMAREL,J.H.VA
Literature Reference Citation REC.TR.CH.P.-B.,109,583(1990)
Literature Reference DOI 10.1002/recl.19901091204
Molecular Weight 552.412 g/mol
Solvent D2O
Source File Reference UWTS2029