| SpectraBase Compound ID | G2J7fPZWhxA |
|---|---|
| InChI | InChI=1S/C64H92N13O15P.CN.Co/c1-30-21-41-42(22-31(30)2)77(29-72-41)59-54(86)55(43(90-59)28-89-35(6)78)92-93(87,88)91-32(3)27-71-51(85)19-20-61(9)39(23-48(68)82)58-64(12)63(11,26-50(70)84)38(15-18-47(67)81)53(76-64)34(5)57-62(10,25-49(69)83)36(13-16-45(65)79)40(73-57)24-44-60(7,8)37(14-17-46(66)80)52(74-44)33(4)56(61)75-58;1-2;/h21-22,24,29,32,36-39,43,54-55,58-59,86H,13-20,23,25-28H2,1-12H3,(H15,65,66,67,68,69,70,71,73,74,75,76,79,80,81,82,83,84,85,87,88);;/q;;+2/p-1/t32-,36-,37-,38-,39+,43-,54-,55-,58-,59+,61-,62+,63+,64+;;/m1../s1 |
| InChIKey | YZESOPWHTUWMEJ-SLOVLRHGSA-M |
| Mol Weight | 1398.4 g/mol |
| Molecular Formula | C65H91CoN14O15P |
| Exact Mass | 1397.585789 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7e9PRUMX991 |
|---|---|
| Name | CO(BETA)-CYANO-O-5R-ACETYL-COBALAMIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H90CoN14O15P |
| InChI | InChI=1S/C64H92N13O15P.CN.Co/c1-30-21-41-42(22-31(30)2)77(29-72-41)59-54(86)55(43(90-59)28-89-35(6)78)92-93(87,88)91-32(3)27-71-51(85)19-20-61(9)39(23-48(68)82)58-64(12)63(11,26-50(70)84)38(15-18-47(67)81)53(76-64)34(5)57-62(10,25-49(69)83)36(13-16-45(65)79)40(73-57)24-44-60(7,8)37(14-17-46(66)80)52(74-44)33(4)56(61)75-58;1-2;/h21-22,24,29,32,36-39,43,54-55,58-59,86H,13-20,23,25-28H2,1-12H3,(H15,65,66,67,68,69,70,71,73,74,75,76,79,80,81,82,83,84,85,87,88);;/q;;+2/p-1/t32-,36-,37-,38-,39+,43-,54-,55-,58-,59+,61-,62+,63+,64+;;/m1../s1 |
| InChIKey | YZESOPWHTUWMEJ-SLOVLRHGSA-M |
| Literature Reference Author | R.B.HANNAK,S.GSCHOESSER,K.WURST,B.KRAEUTLER |
| Literature Reference Citation | MH.CHEM.,138,899(2007) |
| Literature Reference DOI | 10.1007/s00706-007-0752-9 |
| Molecular Weight | 1397.421 g/mol |
| Sample ID | 68671 |
| Solvent | D2O |