![N-[4-(OCTA-O-ACETYLLACTOBIONAMIDOMETHYLENE)-BENZYLIDENE]-N-TERT.-BUTYLAMINE-N-OXIDE](/api/spectrum/rxaTvGxg2L/structure.png?h=300&w=458 "N-[4-(OCTA-O-ACETYLLACTOBIONAMIDOMETHYLENE)-BENZYLIDENE]-N-TERT.-BUTYLAMINE-N-OXIDE")
| SpectraBase Compound ID | esZq9amUTx |
|---|---|
| InChI | InChI=1S/C40H54N2O20/c1-20(43)53-18-30(55-22(3)45)33(62-39-37(60-27(8)50)35(58-25(6)48)32(56-23(4)46)31(61-39)19-54-21(2)44)34(57-24(5)47)36(59-26(7)49)38(51)41-16-28-12-14-29(15-13-28)17-42(52)40(9,10)11/h12-15,17,30-37,39H,16,18-19H2,1-11H3,(H,41,51)/b42-17-/t30-,31+,32-,33?,34-,35-,36-,37+,39?/m1/s1 |
| InChIKey | KEIGXESEKBTYRQ-QJPHVEMKSA-N |
| Mol Weight | 882.9 g/mol |
| Molecular Formula | C40H54N2O20 |
| Exact Mass | 882.326992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | rxaTvGxg2L |
|---|---|
| Name | N-[4-(OCTA-O-ACETYLLACTOBIONAMIDOMETHYLENE)-BENZYLIDENE]-N-TERT.-BUTYLAMINE-N-OXIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H54N2O20 |
| InChI | InChI=1S/C40H54N2O20/c1-20(43)53-18-30(55-22(3)45)33(62-39-37(60-27(8)50)35(58-25(6)48)32(56-23(4)46)31(61-39)19-54-21(2)44)34(57-24(5)47)36(59-26(7)49)38(51)41-16-28-12-14-29(15-13-28)17-42(52)40(9,10)11/h12-15,17,30-37,39H,16,18-19H2,1-11H3,(H,41,51)/b42-17-/t30-,31+,32-,33?,34-,35-,36-,37+,39?/m1/s1 |
| InChIKey | KEIGXESEKBTYRQ-QJPHVEMKSA-N |
| Literature Reference Author | O.OUARI,F.CHALIER,R.BONALY,B.PUCCI,P.TORDO |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-2,2299(1998) |
| Literature Reference DOI | 10.1039/a802785d |
| Molecular Weight | 882.870 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU10188 |