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(1S,2R,7R,8aR)-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalene-1,2-dicarboxylic acid

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(1S,2R,7R,8aR)-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalene-1,2-dicarboxylic acid
SpectraBase Compound ID Jwfi7ZZEBEd
InChI InChI=1S/C13H18O4/c1-7-2-3-8-4-5-9(12(14)15)11(13(16)17)10(8)6-7/h4,7,9-11H,2-3,5-6H2,1H3,(H,14,15)(H,16,17)/t7-,9-,10+,11-/m1/s1
InChIKey RJZCCYUJPJLMNB-CZULRBLNSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CJf54VB4piE
Name (1S,2R,7R,8aR)-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalene-1,2-dicarboxylic acid
CAS Registry Number 82149-59-5
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-7-2-3-8-4-5-9(12(14)15)11(13(16)17)10(8)6-7/h4,7,9-11H,2-3,5-6H2,1H3,(H,14,15)(H,16,17)/t7-,9-,10+,11-/m1/s1
InChIKey RJZCCYUJPJLMNB-CZULRBLNSA-N
Literature Reference Author L.D.QUIN,J.E.MACDIARMID
Literature Reference Citation J.ORG.CHEM.,47,3248(1982)
Literature Reference DOI 10.1021/jo00138a009
Molecular Weight 238.284 g/mol
Solvent CDCl3
Source File Reference UWCS12782