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3'-O-ACETYLTHYMIDINE-5'-(PARA-(N-METHYL-N-2-CHLOROETHYLAMINO)BENZYLAMIDO)PHOSPHATE, ANION
SpectraBase Compound ID Bh7C5jKbUol
InChI InChI=1S/C22H30ClN4O8P/c1-14-12-27(22(30)25-21(14)29)20-10-18(34-15(2)28)19(35-20)13-33-36(31,32)24-11-16-4-6-17(7-5-16)26(3)9-8-23/h4-7,12,18-20H,8-11,13H2,1-3H3,(H2,24,31,32)(H,25,29,30)/p-1/t18-,19+,20+/m0/s1
InChIKey KHHJKAYZKDWJFS-XUVXKRRUSA-M
Mol Weight 543.92 g/mol
Molecular Formula C22H29ClN4O8P
Exact Mass 543.141154 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2cqrLg0gsno
Name 3'-O-ACETYLTHYMIDINE-5'-(PARA-(N-METHYL-N-2-CHLOROETHYLAMINO)BENZYLAMIDO)PHOSPHATE, ANION
Comments , NAME DEFINED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H29ClN4O8P
InChI InChI=1S/C22H30ClN4O8P/c1-14-12-27(22(30)25-21(14)29)20-10-18(34-15(2)28)19(35-20)13-33-36(31,32)24-11-16-4-6-17(7-5-16)26(3)9-8-23/h4-7,12,18-20H,8-11,13H2,1-3H3,(H2,24,31,32)(H,25,29,30)/p-1/t18-,19+,20+/m0/s1
InChIKey KHHJKAYZKDWJFS-XUVXKRRUSA-M
Instrument Name Bruker HX-90
Literature Reference T.S.GODOVIKOVA, V.F.ZARYTOVA, L.M.KHALIMSKAYA (1986) Bioorganich.Khim.(Russ.Lang.): v.12, N4, 475-481.
NMR Standard not reported
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3H7NO dimethylforma