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ADENOSINE-5'-TRIPHOSPHATE, BENZYLAMIDE
SpectraBase Compound ID I8Aed7jX6ng
InChI InChI=1S/C17H23N6O12P3/c18-15-12-16(20-8-19-15)23(9-21-12)17-14(25)13(24)11(33-17)7-32-37(28,29)35-38(30,31)34-36(26,27)22-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,24-25H,6-7H2,(H,28,29)(H,30,31)(H2,18,19,20)(H2,22,26,27)/t11-,13-,14-,17-/m1/s1
InChIKey XNYHAYDDAXMWOW-LSCFUAHRSA-N
Mol Weight 596.32 g/mol
Molecular Formula C17H23N6O12P3
Exact Mass 596.058681 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JnxzR5gmuV9
Name ADENOSINE-5'-TRIPHOSPHATE, BENZYLAMIDE
Comments , PH=11. SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H23N6O12P3
InChI InChI=1S/C17H23N6O12P3/c18-15-12-16(20-8-19-15)23(9-21-12)17-14(25)13(24)11(33-17)7-32-37(28,29)35-38(30,31)34-36(26,27)22-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,24-25H,6-7H2,(H,28,29)(H,30,31)(H2,18,19,20)(H2,22,26,27)/t11-,13-,14-,17-/m1/s1
InChIKey XNYHAYDDAXMWOW-LSCFUAHRSA-N
Instrument Name Bruker HX-90
Literature Reference A.V.LEBEDEV, A.I.REZVUKHIN (REVIEW) (1983) Bioorganich.Khim.(Russ. Lang.): v.9,N2, 149-185.
NMR Standard -H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent H2O water