![[1,2-13C2]-TREMULENEDIOL-B-DI-PARA-BrOMOBENZOATE](/api/spectrum/5e33ZrgFeTJ/structure.png?h=300&w=458 "[1,2-13C2]-TREMULENEDIOL-B-DI-PARA-BrOMOBENZOATE")
| SpectraBase Compound ID | 8bMp3WWzENj |
|---|---|
| InChI | InChI=1S/C29H32Br2O4/c1-18-4-5-21(16-34-27(32)19-6-10-22(30)11-7-19)26(25-15-29(2,3)14-24(18)25)17-35-28(33)20-8-12-23(31)13-9-20/h6-13,15,18,21,24,26H,4-5,14,16-17H2,1-3H3/t18-,21+,24-,26-/m1/s1/i2+1,5+1,14+1,15+1,17+1,18+1,21+1,24+1,25+1,26+1,29+1/t18-,21+,24-,26-,29- |
| InChIKey | GDRUSJCZEODTJX-XGSAISMJSA-N |
| Mol Weight | 615.3 g/mol |
| Molecular Formula | C1813C11H32Br2O4 |
| Exact Mass | 613.103639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5e33ZrgFeTJ |
|---|---|
| Name | [1,2-13C2]-TREMULENEDIOL-B-DI-PARA-BrOMOBENZOATE |
| Compound Number | 5B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C1813C11H32Br2O4 |
| InChI | InChI=1S/C29H32Br2O4/c1-18-4-5-21(16-34-27(32)19-6-10-22(30)11-7-19)26(25-15-29(2,3)14-24(18)25)17-35-28(33)20-8-12-23(31)13-9-20/h6-13,15,18,21,24,26H,4-5,14,16-17H2,1-3H3/t18-,21+,24-,26-/m1/s1/i2+1,5+1,14+1,15+1,17+1,18+1,21+1,24+1,25+1,26+1,29+1/t18-,21+,24-,26-,29- |
| InChIKey | GDRUSJCZEODTJX-XGSAISMJSA-N |
| Literature Reference Author | E.R.CRUZ |
| Literature Reference Citation | CAN.J.CHEM.,75,834(1997) |
| Literature Reference DOI | 10.1139/v97-101 |
| Molecular Weight | 615.295 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP5201 |