| SpectraBase Compound ID | Dht1y9BqlGJ |
|---|---|
| InChI | InChI=1S/C17H23BrO3/c1-3-4-5-6-7-8-11-16-17(20-14(2)19)13-15(21-16)10-9-12-18/h4-5,7-8,10,12,15-17H,3,6,11,13H2,1-2H3/b5-4+,8-7-/t9?,15?,16-,17-/m0/s1 |
| InChIKey | ADPYLPCYOQTHGO-XZDVCYBQSA-N |
| Mol Weight | 355.27 g/mol |
| Molecular Formula | C17H23BrO3 |
| Exact Mass | 354.083058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5x3PfAFNlmN |
|---|---|
| Name | ITOMANALLENE-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H23BrO3 |
| InChI | InChI=1S/C17H23BrO3/c1-3-4-5-6-7-8-11-16-17(20-14(2)19)13-15(21-16)10-9-12-18/h4-5,7-8,10,12,15-17H,3,6,11,13H2,1-2H3/b5-4+,8-7-/t9?,15?,16-,17-/m0/s1 |
| InChIKey | ADPYLPCYOQTHGO-XZDVCYBQSA-N |
| Literature Reference Author | M.SUZUKI,Y.TKAHASHI,Y.MITOME,T.ITOH,T.ABE,M.MASUDA |
| Literature Reference Citation | PHYTOCHEM.,60,861(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00151-6 |
| Molecular Weight | 355.272 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS1858 |