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METHYL-CIS-1,2,3,4,4A,5,6,8A-OCTAHYDRO-8-METHYL-4-OXO-2-NAPHTHALENECARBOXYLATE;ISOMER-#1
SpectraBase Compound ID DmY8ZToyajP
InChI InChI=1S/C13H18O3/c1-8-4-3-5-10-11(8)6-9(7-12(10)14)13(15)16-2/h4,9-11H,3,5-7H2,1-2H3/t9-,10+,11-/m0/s1
InChIKey WWKBSLXDWZVIDZ-AXFHLTTASA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2tlFOsJSdIG
Name METHYL-CIS-1,2,3,4,4A,5,6,8A-OCTAHYDRO-8-METHYL-4-OXO-2-NAPHTHALENECARBOXYLATE;ISOMER-#1
CAS Registry Number 123149-15-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-8-4-3-5-10-11(8)6-9(7-12(10)14)13(15)16-2/h4,9-11H,3,5-7H2,1-2H3/t9-,10+,11-/m0/s1
InChIKey WWKBSLXDWZVIDZ-AXFHLTTASA-N
Literature Reference Author R.ZSCHIESCHE,B.FREY,E.GRIMM,H.U.REISSIG
Literature Reference Citation CHEM.BER.,123,363(1990)
Literature Reference DOI 10.1002/cber.19901230223
Molecular Weight 222.284 g/mol
Solvent CDCl3
Source File Reference UWED13739