| SpectraBase Compound ID | A97wPv2R0M |
|---|---|
| InChI | InChI=1S/C12H14BrNO3/c13-10-4-3-5-9-6(16-11(5)10)1-2-7(8(4)9)17-12(14)15/h1-2,4-11H,3H2,(H2,14,15)/t4-,5+,6?,7+,8?,9?,10?,11?/m0/s1 |
| InChIKey | AQTJPYFFVVWLJG-QDEHUAQMSA-N |
| Mol Weight | 300.15 g/mol |
| Molecular Formula | C12H14BrNO3 |
| Exact Mass | 299.015706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 58KeYskobG |
|---|---|
| Name | AQTJPYFFVVWLJG-QDEHUAQMSA-N |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H14BrNO3 |
| InChI | InChI=1S/C12H14BrNO3/c13-10-4-3-5-9-6(16-11(5)10)1-2-7(8(4)9)17-12(14)15/h1-2,4-11H,3H2,(H2,14,15)/t4-,5+,6?,7+,8?,9?,10?,11?/m0/s1 |
| InChIKey | AQTJPYFFVVWLJG-QDEHUAQMSA-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 | 300.152 g/mol |
| Sample ID | 62199 |
| Solvent | CDCl3 |