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METHYL-(1S)-2,2-[(1'R,2'R)-CYCLOHEPTANE-1',2'-DIOXY]-1-NONYL-3-CYCLOPENTENECARBOXYLATE
SpectraBase Compound ID HSlSiFQE39q
InChI InChI=1S/C23H38O4/c1-3-4-5-6-7-8-12-16-22(21(24)25-2)17-13-18-23(22)26-19-14-10-9-11-15-20(19)27-23/h13,18-20H,3-12,14-17H2,1-2H3/t19-,20-,22-/m1/s1
InChIKey PCZVOAJCIHIFQI-KCZVDYSFSA-N
Mol Weight 378.6 g/mol
Molecular Formula C23H38O4
Exact Mass 378.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B0IdO2DzdsF
Name METHYL-(1S)-2,2-[(1'R,2'R)-CYCLOHEPTANE-1',2'-DIOXY]-1-NONYL-3-CYCLOPENTENECARBOXYLATE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H38O4
InChI InChI=1S/C23H38O4/c1-3-4-5-6-7-8-12-16-22(21(24)25-2)17-13-18-23(22)26-19-14-10-9-11-15-20(19)27-23/h13,18-20H,3-12,14-17H2,1-2H3/t19-,20-,22-/m1/s1
InChIKey PCZVOAJCIHIFQI-KCZVDYSFSA-N
Literature Reference Author K.KATO,H.SUZUKI,H.TANAKA,T.MIYASAKA,M.BABA,K.YAMAGUCHI,H.AKI TA
Literature Reference Citation CHEM.PHARM.BULL.,47,1256(1999)
Literature Reference DOI 10.1248/cpb.47.1256
Molecular Weight 378.552 g/mol
Solvent CDCl3
Source File Reference UWLU8228