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[1-13C]-TREMULENEDIOL-A-DI-PARA-BrOMOBENZOATE
SpectraBase Compound ID 8QhWNhU0596
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/h6-13,18,21,24H,4-5,14-17H2,1-3H3/t18-,21+,24-/m1/s1/i5+1,14+1,18+1,25+1,26+1,29+1
InChIKey FUZTVYRAUODKRP-DMBZULEZSA-N
Mol Weight 610.3 g/mol
Molecular Formula C2313C6H32Br2O4
Exact Mass 608.086865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5m2S1mBDf5V
Name [1-13C]-TREMULENEDIOL-A-DI-PARA-BrOMOBENZOATE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C2313C6H32Br2O4
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/h6-13,18,21,24H,4-5,14-17H2,1-3H3/t18-,21+,24-/m1/s1/i5+1,14+1,18+1,25+1,26+1,29+1
InChIKey FUZTVYRAUODKRP-DMBZULEZSA-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 610.333 g/mol
Solvent CDCl3
Source File Reference UWCP5199