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3'A,7'A-cis-3'A,4',5',6',7',7'A-Hexahydrospiro-[cyclopentan-1,1'(3'H)-isobenzofuran]-3'-one
SpectraBase Compound ID Bg9Ne0MPURW
InChI InChI=1S/C12H18O2/c13-11-9-5-1-2-6-10(9)12(14-11)7-3-4-8-12/h9-10H,1-8H2
InChIKey AIDNRMNKLQQOMO-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 EAFJLwVBVVv
Name 3'A,7'A-cis-3'A,4',5',6',7',7'A-Hexahydrospiro-[cyclopentan-1,1'(3'H)-isobenzofuran]-3'-one
CAS Registry Number 73090-07-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c13-11-9-5-1-2-6-10(9)12(14-11)7-3-4-8-12/h9-10H,1-8H2
InChIKey AIDNRMNKLQQOMO-UHFFFAOYSA-N
Instrument Name SF = 080 MHz
Literature Reference J. Org. Chem. 45, 1828 (1980).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3