| SpectraBase Compound ID | I1tvLI0ntTb |
|---|---|
| InChI | InChI=1S/C8H17N3O8S/c1-17-7-6(13)4(11-8(9)10)5(12)3(19-7)2-18-20(14,15)16/h3-7,12-13H,2H2,1H3,(H4,9,10,11)(H,14,15,16)/t3-,4+,5-,6+,7+/m0/s1 |
| InChIKey | PBEWUVIZPNNVDO-PJEQPVAWSA-N |
| Mol Weight | 315.3 g/mol |
| Molecular Formula | C8H17N3O8S |
| Exact Mass | 315.073636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1IdwyiE590b |
|---|---|
| Name | PBEWUVIZPNNVDO-PJEQPVAWSA-N |
| CAS Registry Number | 75919-40-3 |
| Compound Number | IV |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C8H17N3O8S |
| InChI | InChI=1S/C8H17N3O8S/c1-17-7-6(13)4(11-8(9)10)5(12)3(19-7)2-18-20(14,15)16/h3-7,12-13H,2H2,1H3,(H4,9,10,11)(H,14,15,16)/t3-,4+,5-,6+,7+/m0/s1 |
| InChIKey | PBEWUVIZPNNVDO-PJEQPVAWSA-N |
| Literature Reference Author | W.MCGAHREN,B.HARDY,G.MORTON,F.LOVELL,N.PERKINSON,R.HARGREAVE S,D.BORDERS |
| Literature Reference Citation | J.ORG.CHEM.,46,792(1981) |
| Literature Reference DOI | 10.1021/jo00317a029 |
| Molecular Weight | 315.298 g/mol |
| Solvent | D2O |
| Source File Reference | UNIW20201 |