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3-Butyl-4,5,6,7-tetrahydro-isobenzofuran-1(3H)-one

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3-Butyl-4,5,6,7-tetrahydro-isobenzofuran-1(3H)-one
SpectraBase Compound ID 9wHY9Dsci3k
InChI InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h11H,2-8H2,1H3
InChIKey DFZMOCJBLJBSMV-UHFFFAOYSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6FUNqKaPPlT
Name 3-Butyl-4,5,6,7-tetrahydro-isobenzofuran-1(3H)-one
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h11H,2-8H2,1H3
InChIKey DFZMOCJBLJBSMV-UHFFFAOYSA-N
Instrument Name Bruker WP-80
Literature Reference P. Canonne, J. Plamondon, M. Akssira, Tetrahedron 44, 2903 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3