| SpectraBase Compound ID | 67U4jo8gRU4 |
|---|---|
| InChI | InChI=1S/C15H16Br2N4O4/c1-24-12-9(16)4-15(13(22)11(12)17)5-10(21-25-15)14(23)19-3-2-8-6-18-7-20-8/h4,6-7,13,22H,2-3,5H2,1H3,(H,18,20)(H,19,23) |
| InChIKey | MDUQIEXQKMPARD-UHFFFAOYSA-N |
| Mol Weight | 476.13 g/mol |
| Molecular Formula | C15H16Br2N4O4 |
| Exact Mass | 473.953831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BfxvUtLQc58 |
|---|---|
| Name | AEROPHOBIN-1 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C15H16Br2N4O4 |
| InChI | InChI=1S/C15H16Br2N4O4/c1-24-12-9(16)4-15(13(22)11(12)17)5-10(21-25-15)14(23)19-3-2-8-6-18-7-20-8/h4,6-7,13,22H,2-3,5H2,1H3,(H,18,20)(H,19,23) |
| InChIKey | MDUQIEXQKMPARD-UHFFFAOYSA-N |
| Literature Reference Author | M.GUNASEKERA,S.P.GUNASEKERA |
| Literature Reference Citation | J.NAT.PROD.,52,753(1989) |
| Literature Reference DOI | 10.1021/np50064a014 |
| Molecular Weight | 476.124 g/mol |
| Solvent | ACETONE-D6:CF3COOH=99:1 |
| Source File Reference | UWTS87 |