| SpectraBase Compound ID | LWHEr1YzI03 |
|---|---|
| InChI | InChI=1S/C24H26Br4N4O8/c1-37-17-11(25)7-23(19(33)15(17)27)9-13(31-39-23)21(35)29-5-3-4-6-30-22(36)14-10-24(40-32-14)8-12(26)18(38-2)16(28)20(24)34/h7-8,19-20,33-34H,3-6,9-10H2,1-2H3,(H,29,35)(H,30,36)/t19-,20-,23+,24+/m0/s1 |
| InChIKey | BJWQSQOWGBUSFC-UWXQAFAOSA-N |
| Mol Weight | 818.11 g/mol |
| Molecular Formula | C24H26Br4N4O8 |
| Exact Mass | 813.848416 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 52tOcft4Rgv |
|---|---|
| Name | AEROTHIONIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H26Br4N4O8 |
| InChI | InChI=1S/C24H26Br4N4O8/c1-37-17-11(25)7-23(19(33)15(17)27)9-13(31-39-23)21(35)29-5-3-4-6-30-22(36)14-10-24(40-32-14)8-12(26)18(38-2)16(28)20(24)34/h7-8,19-20,33-34H,3-6,9-10H2,1-2H3,(H,29,35)(H,30,36)/t19-,20-,23+,24+/m0/s1 |
| InChIKey | BJWQSQOWGBUSFC-UWXQAFAOSA-N |
| Literature Reference Author | J.A.KALAITZIS,R.A.DAVIS,R.J.QUINN |
| Literature Reference Citation | MAGN.RES.CHEM.,50,749(2012) |
| Literature Reference DOI | 10.1002/mrc.3868 |
| Molecular Weight | 818.108 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU82353 |