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3-Hydroxy-1-hydroxymethyl-1,3,3a,4,7,7a-hexahydro-isobenzofuran
SpectraBase Compound ID L4u0D2eqUav
InChI InChI=1S/C9H14O3/c10-5-8-6-3-1-2-4-7(6)9(11)12-8/h1,3,6-11H,2,4-5H2
InChIKey IEDIZLLKQZRVLD-UHFFFAOYSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IzmE4XdStYH
Name 3-Hydroxy-1-hydroxymethyl-1,3,3a,4,7,7a-hexahydro-isobenzofuran
Comments 50 MHZ SPECTRUM, ANOMER 1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c10-5-8-6-3-1-2-4-7(6)9(11)12-8/h1,3,6-11H,2,4-5H2
InChIKey IEDIZLLKQZRVLD-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference A. Lubineau, J. Auge, N. Lubin, J. Chem. Soc. Perkin I 3011 (1990).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3