| SpectraBase Compound ID | HRB8M12q96g |
|---|---|
| InChI | InChI=1S/C22H29N5O6S2/c1-3-32-16(28)10-8-14(21(31)33-4-2)25-19(29)15-9-7-12(34-15)5-6-13-11-24-18-17(35-13)20(30)27-22(23)26-18/h7,9,13-14H,3-6,8,10-11H2,1-2H3,(H,25,29)(H4,23,24,26,27,30)/t13-,14?/m0/s1 |
| InChIKey | PNEJWDRVSRGEDQ-LSLKUGRBSA-N |
| Mol Weight | 523.62 g/mol |
| Molecular Formula | C22H29N5O6S2 |
| Exact Mass | 523.155926 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5gjkJ6ltHgA |
|---|---|
| Name | PNEJWDRVSRGEDQ-LSLKUGRBSA-N |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H29N5O6S2 |
| InChI | InChI=1S/C22H29N5O6S2/c1-3-32-16(28)10-8-14(21(31)33-4-2)25-19(29)15-9-7-12(34-15)5-6-13-11-24-18-17(35-13)20(30)27-22(23)26-18/h7,9,13-14H,3-6,8,10-11H2,1-2H3,(H,25,29)(H4,23,24,26,27,30)/t13-,14?/m0/s1 |
| InChIKey | PNEJWDRVSRGEDQ-LSLKUGRBSA-N |
| Literature Reference Author | B.C.M.POTTS,K.F.ALBIZATI,M.O.N.JOHNSON,J.P.JAMES |
| Literature Reference Citation | MAGN.RES.CHEM.,37,393(1999) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(199906)37:6<393::aid-mrc468>3.0.co;2-q |
| Molecular Weight | 523.622 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS23027 |