| SpectraBase Compound ID | 9gAToyEupxz |
|---|---|
| InChI | InChI=1S/C28H30Br4N4O10/c1-13(37)43-23-19(31)21(41-3)15(29)9-27(23)11-17(35-45-27)25(39)33-7-5-6-8-34-26(40)18-12-28(46-36-18)10-16(30)22(42-4)20(32)24(28)44-14(2)38/h9-10,23-24H,5-8,11-12H2,1-4H3,(H,33,39)(H,34,40) |
| InChIKey | NPLDITJHGVDFOV-UHFFFAOYSA-N |
| Mol Weight | 902.18 g/mol |
| Molecular Formula | C28H30Br4N4O10 |
| Exact Mass | 897.869545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwLtSI0PUVF |
|---|---|
| Name | DIACETYL-AEROTHIONIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H30Br4N4O10 |
| InChI | InChI=1S/C28H30Br4N4O10/c1-13(37)43-23-19(31)21(41-3)15(29)9-27(23)11-17(35-45-27)25(39)33-7-5-6-8-34-26(40)18-12-28(46-36-18)10-16(30)22(42-4)20(32)24(28)44-14(2)38/h9-10,23-24H,5-8,11-12H2,1-4H3,(H,33,39)(H,34,40) |
| InChIKey | NPLDITJHGVDFOV-UHFFFAOYSA-N |
| Literature Reference Author | S.A.MORRIS,R.J.ANDERSEN |
| Literature Reference Citation | CAN.J.CHEM.,67,677(1989) |
| Literature Reference DOI | 10.1139/v89-102 |
| Molecular Weight | 902.183 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED5048 |