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6-ADENOSINE-DIPHOSPHATE-2,5-ANHYDRO-1-DEOXY-1-PHENYL-ACETAMIDE-D-ALLITOL
SpectraBase Compound ID DFFow44d12b
InChI InChI=1S/C24H32N6O14P2/c25-22-17-23(28-10-27-22)30(11-29-17)24-21(35)20(34)15(43-24)9-41-46(38,39)44-45(36,37)40-8-14-19(33)18(32)13(42-14)7-26-16(31)6-12-4-2-1-3-5-12/h1-5,10-11,13-15,18-21,24,32-35H,6-9H2,(H,26,31)(H,36,37)(H,38,39)(H2,25,27,28)/t13-,14+,15+,18-,19+,20+,21+,24+/m1/s1
InChIKey GNKVNMVTMKRKAN-KFSQSSSMSA-N
Mol Weight 690.5 g/mol
Molecular Formula C24H32N6O14P2
Exact Mass 690.145174 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2PJBXYviZsn
Name 6-ADENOSINE-DIPHOSPHATE-2,5-ANHYDRO-1-DEOXY-1-PHENYL-ACETAMIDE-D-ALLITOL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H30N6O14P2
InChI InChI=1S/C24H32N6O14P2/c25-22-17-23(28-10-27-22)30(11-29-17)24-21(35)20(34)15(43-24)9-41-46(38,39)44-45(36,37)40-8-14-19(33)18(32)13(42-14)7-26-16(31)6-12-4-2-1-3-5-12/h1-5,10-11,13-15,18-21,24,32-35H,6-9H2,(H,26,31)(H,36,37)(H,38,39)(H2,25,27,28)/t13-,14+,15+,18-,19+,20+,21+,24+/m1/s1
InChIKey GNKVNMVTMKRKAN-KFSQSSSMSA-N
Literature Reference Author D.WAHLER,J.L.REYMOND
Literature Reference Citation CAN.J.CHEM.,80,665(2002)
Literature Reference DOI 10.1139/v02-074
Solvent D2O
Source File Reference UWLU29840