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BICYCLO/2.1.1/HEXANE-1-METHANOL
SpectraBase Compound ID HeZYWvyGhSj
InChI InChI=1S/C7H12O/c8-5-7-2-1-6(3-7)4-7/h6,8H,1-5H2/t6-,7-
InChIKey DROLRKKVQRWUJY-LJGSYFOKSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6CjteNHNZgx
Name 1-Hydroxymethyl-bicyclo(2.1.1)hexane
CAS Registry Number 90049-44-8
Comments C9 IS C-13 ENRICHED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c8-5-7-2-1-6(3-7)4-7/h6,8H,1-5H2/t6-,7-
InChIKey DROLRKKVQRWUJY-LJGSYFOKSA-N
Instrument Name Bruker WH-90
Literature Reference M. Barfield, S.E. Brown, E.D. Canada, J. Am. Chem. Soc. 102, 3355 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3