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3(R)-METHYL-1,4-OCTANEDIOL

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3(R)-METHYL-1,4-OCTANEDIOL
SpectraBase Compound ID CgSgK0WQkSF
InChI InChI=1S/C9H20O2/c1-3-4-5-9(11)8(2)6-7-10/h8-11H,3-7H2,1-2H3
InChIKey SXZWQCXQDXILPM-UHFFFAOYSA-N
Mol Weight 160.26 g/mol
Molecular Formula C9H20O2
Exact Mass 160.14633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7vemzpf8F1E
Name 3(S)-METHYL-1,4-OCTANEDIOL
Source of Sample D. B. Collum, F. Mohamadi, J. S. Hallock J. Amer. Chem. Soc. 105, 6882(1983)
CAS Registry Number 87434-02-4
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H20O2
InChI InChI=1S/C9H20O2/c1-3-4-5-9(11)8(2)6-7-10/h8-11H,3-7H2,1-2H3
InChIKey SXZWQCXQDXILPM-UHFFFAOYSA-N
Molecular Weight 160.26
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Jeol FX-90
Synonyms 1,4-OCTANEDIOL, 3/S/-METHYL-,