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4-Pentamethylene-3-oxa-bicyclo(3.3.0)octan-2-one

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4-Pentamethylene-3-oxa-bicyclo(3.3.0)octan-2-one
SpectraBase Compound ID GBFk5TldF90
InChI InChI=1S/C12H18O2/c13-11-9-5-4-6-10(9)12(14-11)7-2-1-3-8-12/h9-10H,1-8H2
InChIKey XBXFYHPJMRGGSD-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 81dIUOTF8z0
Name 4-Pentamethylene-3-oxa-bicyclo(3.3.0)octan-2-one
CAS Registry Number 50870-49-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c13-11-9-5-4-6-10(9)12(14-11)7-2-1-3-8-12/h9-10H,1-8H2
InChIKey XBXFYHPJMRGGSD-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference E.G. Hawkins, R. Large, J. Chem. Soc. Perkin I 2169 (1973).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4