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ADENOSINE-5'-BIS(2,4,6-TRIMETHYLBENZOYL)PHOSPHATE

View entire compound with spectra: 1 NMR

ADENOSINE-5'-BIS(2,4,6-TRIMETHYLBENZOYL)PHOSPHATE
SpectraBase Compound ID 2gS8wLN3eXP
InChI InChI=1S/C30H34N5O9P/c1-14-7-16(3)21(17(4)8-14)29(38)43-45(40,44-30(39)22-18(5)9-15(2)10-19(22)6)41-11-20-24(36)25(37)28(42-20)35-13-34-23-26(31)32-12-33-27(23)35/h7-10,12-13,20,24-25,28,36-37H,11H2,1-6H3,(H2,31,32,33)/t20-,24-,25-,28-/m1/s1
InChIKey KKOOSXPXVYGPCQ-QZHHGCDDSA-N
Mol Weight 639.6 g/mol
Molecular Formula C30H34N5O9P
Exact Mass 639.209415 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GkXcG5AXr2v
Name ADENOSINE-5'-BIS(2,4,6-TRIMETHYLBENZOYL)PHOSPHATE
Comments , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C30H34N5O9P
InChI InChI=1S/C30H34N5O9P/c1-14-7-16(3)21(17(4)8-14)29(38)43-45(40,44-30(39)22-18(5)9-15(2)10-19(22)6)41-11-20-24(36)25(37)28(42-20)35-13-34-23-26(31)32-12-33-27(23)35/h7-10,12-13,20,24-25,28,36-37H,11H2,1-6H3,(H2,31,32,33)/t20-,24-,25-,28-/m1/s1
InChIKey KKOOSXPXVYGPCQ-QZHHGCDDSA-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 C5H5N pyridine