| SpectraBase Compound ID | HmIRUowKIHC |
|---|---|
| InChI | InChI=1S/C38H63N11O14.Al.2H/c39-16-29(52)42-11-3-1-6-23(40)36(59)49-20-22(51)15-28(49)35(58)44-17-30(53)46-25(38(62)63)9-10-31(54)48-19-21(50)14-27(48)34(57)45-18-32(55)47-13-5-8-26(47)33(56)43-12-4-2-7-24(41)37(60)61;;;/h21-28,50-51H,1-20,39-41H2,(H,42,52)(H,43,56)(H,44,58)(H,45,57)(H,46,53)(H,60,61)(H,62,63);;;/q;+1;;/p-1 |
| InChIKey | KQFSSJUTLZUSKS-UHFFFAOYSA-M |
| Mol Weight | 926.0 g/mol |
| Molecular Formula | C38H64AlN11O14 |
| Exact Mass | 925.444959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 148bNoMcuXt |
|---|---|
| Name | Gly-lys-hyp-gly-glu-hyp-gly-pro-lys-al(iii) complex |
| Comments | PH=4.33, AL(III) COMPLEXED TO GLU5COO- OF A SECOND FRAGMENT |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C38H64AlN11O14 |
| InChI | InChI=1S/C38H63N11O14.Al.2H/c39-16-29(52)42-11-3-1-6-23(40)36(59)49-20-22(51)15-28(49)35(58)44-17-30(53)46-25(38(62)63)9-10-31(54)48-19-21(50)14-27(48)34(57)45-18-32(55)47-13-5-8-26(47)33(56)43-12-4-2-7-24(41)37(60)61;;;/h21-28,50-51H,1-20,39-41H2,(H,42,52)(H,43,56)(H,44,58)(H,45,57)(H,46,53)(H,60,61)(H,62,63);;;/q;+1;;/p-1 |
| InChIKey | KQFSSJUTLZUSKS-UHFFFAOYSA-M |
| Instrument Name | Bruker WM-250 |
| Literature Reference | M. Gervais, G. Commenges, J.P. Laussac, Magn. Res. Chem. 25, 594 (1987). |
| NMR Standard | TMS-PRSO3 Na |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |