| SpectraBase Compound ID | C8JIaYYxUbn |
|---|---|
| InChI | InChI=1S/C12H14BrNO4/c13-6-2-1-3-5-4(2)10-7(14-12(16)18-10)8(15)11(5)17-9(3)6/h2-11,15H,1H2,(H,14,16)/t2-,3+,4?,5?,6?,7+,8-,9?,10-,11?/m0/s1 |
| InChIKey | WXYGRIJFVAMORZ-DUHFTOMCSA-N |
| Mol Weight | 316.15 g/mol |
| Molecular Formula | C12H14BrNO4 |
| Exact Mass | 315.010621 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D7kTgcNCnqx |
|---|---|
| Name | WXYGRIJFVAMORZ-DUHFTOMCSA-N |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H14BrNO4 |
| InChI | InChI=1S/C12H14BrNO4/c13-6-2-1-3-5-4(2)10-7(14-12(16)18-10)8(15)11(5)17-9(3)6/h2-11,15H,1H2,(H,14,16)/t2-,3+,4?,5?,6?,7+,8-,9?,10-,11?/m0/s1 |
| InChIKey | WXYGRIJFVAMORZ-DUHFTOMCSA-N |
| Literature Reference Author | T.J.DONOHOE,P.D.JOHNSON,R.J.PYE,M.KEENAN |
| Literature Reference Citation | ORG.LETTERS,7,1275(2005) |
| Literature Reference DOI | 10.1021/ol0473750 |
| Molecular Weight | 316.151 g/mol |
| Sample ID | 62200 |
| Solvent | C5D5N |