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[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

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