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DITHYMIDINE DIPHOSPHATE, BENZYLAMIDE
SpectraBase Compound ID 8AOvIOOUjZq
InChI InChI=1S/C27H35N5O14P2/c1-15-11-31(26(36)29-24(15)34)22-8-18(33)20(44-22)13-43-48(40,41)46-19-9-23(32-12-16(2)25(35)30-27(32)37)45-21(19)14-42-47(38,39)28-10-17-6-4-3-5-7-17/h3-7,11-12,18-23,33H,8-10,13-14H2,1-2H3,(H,40,41)(H2,28,38,39)(H,29,34,36)(H,30,35,37)/t18-,19-,20+,21+,22+,23+/m0/s1
InChIKey SHLJPHRFZSRINY-ZFPSYYEBSA-N
Mol Weight 715.5 g/mol
Molecular Formula C27H35N5O14P2
Exact Mass 715.165575 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HcBRuP3Yx4T
Name DITHYMIDINE DIPHOSPHATE, BENZYLAMIDE
Comments , NAME DEFINED, TERMINAL PO4 GROUP MAY BE CONNECTED TO ATOM C5 OF OTHER
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Formula C27H35N5O14P2
InChI InChI=1S/C27H35N5O14P2/c1-15-11-31(26(36)29-24(15)34)22-8-18(33)20(44-22)13-43-48(40,41)46-19-9-23(32-12-16(2)25(35)30-27(32)37)45-21(19)14-42-47(38,39)28-10-17-6-4-3-5-7-17/h3-7,11-12,18-23,33H,8-10,13-14H2,1-2H3,(H,40,41)(H2,28,38,39)(H,29,34,36)(H,30,35,37)/t18-,19-,20+,21+,22+,23+/m0/s1
InChIKey SHLJPHRFZSRINY-ZFPSYYEBSA-N
Instrument Name Bruker HX-90
Literature Reference T.S.GODOVIKOVA, V.F.ZARYTOVA, T.V.MAL'TSEVA, L.M.KHALIMSKAYA (1989)Bioorganich.Khim.(Russ. Lang.): v.15, N9, 1246-1252.
NMR Standard not reported
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3H7NO dimethylforma