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(2S)-2-[(1S,4S,5R)-5-BENZYLOXYMETHYL-4-METHYLCYCLOPENT-2-EN-1-YL]-PROPANOIC-ACID
SpectraBase Compound ID D6UKQ1mjohv
InChI InChI=1S/C17H22O3/c1-12-8-9-15(13(2)17(18)19)16(12)11-20-10-14-6-4-3-5-7-14/h3-9,12-13,15-16H,10-11H2,1-2H3,(H,18,19)/t12-,13-,15+,16+/m0/s1
InChIKey NTPWKNUVROESCE-WMHQRMGPSA-N
Mol Weight 274.36 g/mol
Molecular Formula C17H22O3
Exact Mass 274.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kw68ctwgmMK
Name (2S)-2-[(1S,4S,5R)-5-BENZYLOXYMETHYL-4-METHYLCYCLOPENT-2-EN-1-YL]-PROPANOIC-ACID
Compound Number 47
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22O3
InChI InChI=1S/C17H22O3/c1-12-8-9-15(13(2)17(18)19)16(12)11-20-10-14-6-4-3-5-7-14/h3-9,12-13,15-16H,10-11H2,1-2H3,(H,18,19)/t12-,13-,15+,16+/m0/s1
InChIKey NTPWKNUVROESCE-WMHQRMGPSA-N
Literature Reference Author D.M.HODGSON,A.R.GIBBS,M.G.B.DREW
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3579(1999)
Literature Reference DOI 10.1039/a907522d
Molecular Weight 274.360 g/mol
Solvent CDCl3
Source File Reference UWKP732