| SpectraBase Compound ID | Bwi3ScToHG1 |
|---|---|
| InChI | InChI=1S/C26H42N10O12/c37-15-17(39)25-46-12-14-10-36(34-32-14)8-6-28-2-4-30-24(44)20(42)22-16(38)18(40)26(48-22)45-11-13-9-35(33-31-13)7-5-27-1-3-29-23(43)19(41)21(15)47-25/h9-10,15-22,25-28,37-42H,1-8,11-12H2,(H,29,43)(H,30,44)/t15-,16-,17-,18-,19?,20?,21-,22-,25-,26-/m1/s1 |
| InChIKey | VIMYSWZZWCDGDQ-JIFDPZRDSA-N |
| Mol Weight | 686.7 g/mol |
| Molecular Formula | C26H42N10O12 |
| Exact Mass | 686.298367 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jl005BPZLdD |
|---|---|
| Name | VIMYSWZZWCDGDQ-JIFDPZRDSA-N |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H42N10O12 |
| InChI | InChI=1S/C26H42N10O12/c37-15-17(39)25-46-12-14-10-36(34-32-14)8-6-28-2-4-30-24(44)20(42)22-16(38)18(40)26(48-22)45-11-13-9-35(33-31-13)7-5-27-1-3-29-23(43)19(41)21(15)47-25/h9-10,15-22,25-28,37-42H,1-8,11-12H2,(H,29,43)(H,30,44)/t15-,16-,17-,18-,19?,20?,21-,22-,25-,26-/m1/s1 |
| InChIKey | VIMYSWZZWCDGDQ-JIFDPZRDSA-N |
| Literature Reference Author | A.ALLAM,L.DUPONT,J.B.BEHR,R.PLANTIER-ROYON |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2012,817(2012) |
| Literature Reference DOI | 10.1002/ejoc.201101406 |
| Molecular Weight | 686.679 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU85120 |