| SpectraBase Compound ID | 5c90oHNyl37 |
|---|---|
| InChI | InChI=1S/C12H16N3O13P3/c16-15(17)10-3-5-13-12-9(10)4-6-14(12)11-2-1-8(26-11)7-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,8,11H,1-2,7H2,(H,21,22)(H,23,24)(H2,18,19,20)/t8-,11+/m0/s1 |
| InChIKey | LQDNQAKAESTPST-GZMMTYOYSA-N |
| Mol Weight | 503.19 g/mol |
| Molecular Formula | C12H16N3O13P3 |
| Exact Mass | 502.989599 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4YE4Agdm1Fn |
|---|---|
| Name | LQDNQAKAESTPST-GZMMTYOYSA-N |
| Compound Number | 28 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H12N3O13P3 |
| InChI | InChI=1S/C12H16N3O13P3/c16-15(17)10-3-5-13-12-9(10)4-6-14(12)11-2-1-8(26-11)7-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,8,11H,1-2,7H2,(H,21,22)(H,23,24)(H2,18,19,20)/t8-,11+/m0/s1 |
| InChIKey | LQDNQAKAESTPST-GZMMTYOYSA-N |
| Literature Reference Author | F.SEELA,R.GUMBIOWSKI |
| Literature Reference Citation | HELV.CHIM.ACTA,74,1048(1991) |
| Literature Reference DOI | 10.1002/hlca.19910740514 |
| Solvent | D2O |
| Source File Reference | UWSF1169 |