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(3R,7RS)-OCTANE-1,3,7-TRIOL
SpectraBase Compound ID JtYRQyhGCBB
InChI InChI=1S/2C8H18O3/c2*1-7(10)3-2-4-8(11)5-6-9/h2*7-11H,2-6H2,1H3/t7-,8+;7-,8-/m01/s1
InChIKey GLFOBFKJVDWFMM-MECQWACNSA-N
Mol Weight 324.46 g/mol
Molecular Formula C16H36O6
Exact Mass 324.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZLjCZT9uGj
Name (3R,7RS)-OCTANE-1,3,7-TRIOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H36O6
InChI InChI=1S/2C8H18O3/c2*1-7(10)3-2-4-8(11)5-6-9/h2*7-11H,2-6H2,1H3/t7-,8+;7-,8-/m01/s1
InChIKey GLFOBFKJVDWFMM-MECQWACNSA-N
Literature Reference Author T.BEUERLE,S.ENGELHARD,C.BICCHI,W.SCHWAB
Literature Reference Citation J.NAT.PROD.,62,35(1999)
Literature Reference DOI 10.1021/np980094e
Molecular Weight 324.458 g/mol
Solvent CD3OD
Source File Reference UWCS19774