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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 EYAWReKL4mN
Name 3(S)-Methyl-octane-1,4-diol
CAS Registry Number 87434-02-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Jeol FX-90
Literature Reference D.B. Collum, F. Mohamadi, J.S. Hallock, J. Am. Chem. Soc. 105, 6882 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3