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3-Hydroxy-3a,4,7,7a-tetrahydro-4,5-methano-(3H)-isobenzofuran-1-one
SpectraBase Compound ID GogZggvErsE
InChI InChI=1S/C9H10O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-8,10H,3H2/t4-,5+,6?,7?,8?/m0/s1
InChIKey QJQKWWRFMPGUIQ-VFILTWHOSA-N
Mol Weight 166.18 g/mol
Molecular Formula C9H10O3
Exact Mass 166.062994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 68Yd6aGLWud
Name 3-Hydroxy-3a,4,7,7a-tetrahydro-4,5-methano-(3H)-isobenzofuran-1-one
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H10O3
InChI InChI=1S/C9H10O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-8,10H,3H2/t4-,5+,6?,7?,8?/m0/s1
InChIKey QJQKWWRFMPGUIQ-VFILTWHOSA-N
Literature Reference P. Magnus, P.M. Cairns, J. Am. Chem. Soc. 108, 217 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3