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(2RS,5SR,7SR)-5-Isopropyl-7-methyl-1,5,6,7-tetrahydro-2,5-methano-4-benzoxonin-3(2H)-one

Compound with spectra: 1 NMR, and 1 MS (GC)

(2RS,5SR,7SR)-5-Isopropyl-7-methyl-1,5,6,7-tetrahydro-2,5-methano-4-benzoxonin-3(2H)-one
SpectraBase Compound ID EJb0L6SvVLx
InChI InChI=1S/C17H22O2/c1-11(2)17-9-12(3)15-7-5-4-6-13(15)8-14(10-17)16(18)19-17/h4-7,11-12,14H,8-10H2,1-3H3/t12-,14+,17-/m0/s1
InChIKey NOYKTASJYYQOFR-QEORTHHSSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol
Enantiomer InChIKey NOYKTASJYYQOFR-HACGYAERSA-N

View Spectrum of (2RS,5SR,7SR)-5-Isopropyl-7-methyl-1,5,6,7-tetrahydro-2,5-methano-4-benzoxonin-3(2H)-one

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum BJO-6-1239-13

View Spectrum of (2RS,5SR,7SR)-5-Isopropyl-7-methyl-1,5,6,7-tetrahydro-2,5-methano-4-benzoxonin-3(2H)-one

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
METHYL-(6RS,8RS,9RS)-9-CYCLOPROPYL-8-HYDROXY-8-ISOPROPYL-5,6,7,8,9,10-HEXAHYDRO-BENZO-[8]-ANNULENE-6-CARBOXYLATE
Naphtho[2,3-c]furan-1(3H)-one, 3a,4,9,9a-tetrahydro-4-phenyl-
trans-Ethyl 4b,5,6,7,8,8a,9,10-octahydro-9-phenanthrenecarboxylate
4,9-Ethanonaphtho[2,3-c]furan-1,3-dione, 3a,4,9,9a-tetrahydro-, (3a.alpha.,4.alpha.,9.alpha.,9a.alpha.)-
trans-2,3-Dicarbomethoxy-5,6-benzobicyclo[2.2.2]octane
endo-2,3-di(methoxycarbonyl)-benzo[e]bicyclo[2.2.2]octane
7-Methoxy-14,14-dimethyl-12-oxatricyclo[9.2.1.0(3,8)]tetradeca-3(8),4,6-trien-13-one
Naphtho[2,3-c]furan-1(3H)-one, 3a,4,9,9a-tetrahydro-9-phenyl-
1,14,14-TRIMETHYL-12-OXATRICYCLO-[9.2.1.0(3,8)]-TETRADECA-3(8),4,6-TRIEN-13-ONE
3-Furancarboxylic acid, 4-[2-(2,4-dimethylphenyl)-1-methyl-2-oxoethyl]tetrahydro-5,5-dimethyl-2-oxo-, ethyl ester
Title Journal or Book Year
Highly substituted benzannulated cyclooctanol derivatives by samarium diiodide-induced cyclizations Beilstein Journal of Organic Chemistry 2010

This compound is available in the following databases:

KnowItAll NMR Spectral Library
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Wiley Registry of Mass Spectral Data 2023
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