John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4NxfdcHmbrQ SpectraBase Spectrum ID=1j3kdiKVoRD

(accessed ).
PFQPQLHGZGJIFG-RWQKCNEHSA-N
SpectraBase Compound ID 4NxfdcHmbrQ
InChI InChI=1S/C29H46N7O19P3S/c1-15(2)28(42)52-16(3)10-19(38)59-9-8-31-18(37)6-7-32-26(41)23(40)29(4,5)12-51-58(48,49)55-57(46,47)50-11-17-22(54-56(43,44)45)21(39)27(53-17)36-14-35-20-24(30)33-13-34-25(20)36/h13-15,17,21-23,27,39-40H,3,6-12H2,1-2,4-5H3,(H,31,37)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,21-,22-,23-,27-/m0/s1/i3+1,16+1
InChIKey PFQPQLHGZGJIFG-RWQKCNEHSA-N
Mol Weight 923.7 g/mol
Molecular Formula C2713C2H46N7O19P3S
Exact Mass 923.18492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1j3kdiKVoRD
Name PFQPQLHGZGJIFG-RWQKCNEHSA-N
Compound Number 29
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H42N7O19P3S
InChI InChI=1S/C29H46N7O19P3S/c1-15(2)28(42)52-16(3)10-19(38)59-9-8-31-18(37)6-7-32-26(41)23(40)29(4,5)12-51-58(48,49)55-57(46,47)50-11-17-22(54-56(43,44)45)21(39)27(53-17)36-14-35-20-24(30)33-13-34-25(20)36/h13-15,17,21-23,27,39-40H,3,6-12H2,1-2,4-5H3,(H,31,37)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,21-,22-,23-,27-/m0/s1/i3+1,16+1
InChIKey PFQPQLHGZGJIFG-RWQKCNEHSA-N
Literature Reference Author S.DAKOJI,I.SHIN,D.F.BECKER,M.T.STANKOVICH,H.W.LIU
Literature Reference Citation J.AM.CHEM.SOC.,118,10971(1996)
Literature Reference DOI 10.1021/ja962532e
Molecular Weight 917.669 g/mol
Sample ID 53543
Solvent D2O
SpectraBase Batch ID Iotx09niqdu