![1-(P1,P2-Bis[1-adamantyl]-P2-[butylamido]pyrophosphono)-butylamide](/api/spectrum/7un7jr3QKgS/structure.png?h=300&w=458 "1-(P1,P2-Bis[1-adamantyl]-P2-[butylamido]pyrophosphono)-butylamide")
| SpectraBase Compound ID | KUlMAGRIfjT |
|---|---|
| InChI | InChI=1S/C28H50N2O3P2/c1-3-5-7-29-34(31,27-15-21-9-22(16-27)11-23(10-21)17-27)33-35(32,30-8-6-4-2)28-18-24-12-25(19-28)14-26(13-24)20-28/h21-26H,3-20H2,1-2H3,(H,29,31)(H,30,32)/t21-,22+,23-,24-,25+,26-,27-,28-,34?,35? |
| InChIKey | KMOZJPLXIAACIS-CECIVRJFSA-N |
| Mol Weight | 524.7 g/mol |
| Molecular Formula | C28H50N2O3P2 |
| Exact Mass | 524.329667 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7un7jr3QKgS |
|---|---|
| Name | 1-(P1,P2-Bis[1-adamantyl]-P2-[butylamido]pyrophosphono)-butylamide |
| CAS Registry Number | 97745-49-8 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C28H50N2O3P2 |
| InChI | InChI=1S/C28H50N2O3P2/c1-3-5-7-29-34(31,27-15-21-9-22(16-27)11-23(10-21)17-27)33-35(32,30-8-6-4-2)28-18-24-12-25(19-28)14-26(13-24)20-28/h21-26H,3-20H2,1-2H3,(H,29,31)(H,30,32)/t21-,22+,23-,24-,25+,26-,27-,28-,34?,35? |
| InChIKey | KMOZJPLXIAACIS-CECIVRJFSA-N |
| Instrument Name | Bruker WH-90 |
| Literature Reference | H. Duddeck, A.G. Hanna, Magn. Res. Chem. 23, 41 (1985). |
| NMR Standard | CDCl3 |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |