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#68;5-Methyl-5'-o-(4,4'-dimethoxytrityl)-2'-o-(2-methoxyethyl)-3'-o-(N,N-diisopropylamino)-[2-[N-isopropyl-N-(4-methoxybenzoyl)-amino]-ethoxy]-phosphinyluridin

View entire compound with spectra: 3 NMR

#68;5-Methyl-5'-o-(4,4'-dimethoxytrityl)-2'-o-(2-methoxyethyl)-3'-o-(N,N-diisopropylamino)-[2-[N-isopropyl-N-(4-methoxybenzoyl)-amino]-ethoxy]-phosphinyluridin
SpectraBase Compound ID 5oJ8SRlfodQ
InChI InChI=1S/C53H69N4O12P/c1-35(2)55(50(59)39-17-23-43(62-9)24-18-39)29-30-67-70(57(36(3)4)37(5)6)69-47-46(68-51(48(47)65-32-31-61-8)56-33-38(7)49(58)54-52(56)60)34-66-53(40-15-13-12-14-16-40,41-19-25-44(63-10)26-20-41)42-21-27-45(64-11)28-22-42/h12-28,33,35-37,46-48,51H,29-32,34H2,1-11H3,(H,54,58,60)/t46-,47-,48-,51-,70?/m0/s1
InChIKey DVBQDFXHOIOHLK-QMCRBEHKSA-N
Mol Weight 985.1 g/mol
Molecular Formula C53H69N4O12P
Exact Mass 984.464961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L4U19AlbsOf
Name #68;5-Methyl-5'-o-(4,4'-dimethoxytrityl)-2'-o-(2-methoxyethyl)-3'-o-(N,N-diisopropylamino)-[2-[N-isopropyl-N-(4-methoxybenzoyl)-amino]-ethoxy]-phosphinyluridin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 984.464960664 u
Formula C53H69N4O12P
InChI InChI=1S/C53H69N4O12P/c1-35(2)55(50(59)39-17-23-43(62-9)24-18-39)29-30-67-70(57(36(3)4)37(5)6)69-47-46(68-51(48(47)65-32-31-61-8)56-33-38(7)49(58)54-52(56)60)34-66-53(40-15-13-12-14-16-40,41-19-25-44(63-10)26-20-41)42-21-27-45(64-11)28-22-42/h12-28,33,35-37,46-48,51H,29-32,34H2,1-11H3,(H,54,58,60)/t46-,47-,48-,51-,70?/m0/s1
InChIKey DVBQDFXHOIOHLK-QMCRBEHKSA-N
Molecular Weight 985.125 g/mol
SMILES [C@]1(O[C@]([C@@]([C@@]1(OCCOC)[H])(OP(N(C(C)C)C(C)C)OCCN(C(C)C)C(=O)C1=CC=C(C=C1)OC)[H])(COC(C1=CC=C(C=C1)OC)(C1=CC=C(C=C1)OC)C1=CC=CC=C1)[H])(N1C(=O)NC(=O)C(=C1)C)[H]