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METHYL-(1S)-1-BENZYL-2,2-[(1'R,2'R)-CYCLOHEPTANE-1',2'-DIOXY]-1-METHYL-3-CYCLOPENTENECARBOXYLATE
SpectraBase Compound ID BtPrCiqvuhI
InChI InChI=1S/C21H26O4/c1-23-19(22)20(15-16-9-4-2-5-10-16)13-8-14-21(20)24-17-11-6-3-7-12-18(17)25-21/h2,4-5,8-10,14,17-18H,3,6-7,11-13,15H2,1H3/t17-,18-,20+/m1/s1
InChIKey NQWLTJWBGXEQCX-GGPKGHCWSA-N
Mol Weight 342.44 g/mol
Molecular Formula C21H26O4
Exact Mass 342.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DhgHL0uFzqg
Name METHYL-(1S)-1-BENZYL-2,2-[(1'R,2'R)-CYCLOHEPTANE-1',2'-DIOXY]-1-METHYL-3-CYCLOPENTENECARBOXYLATE
Compound Number 11C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O4
InChI InChI=1S/C21H26O4/c1-23-19(22)20(15-16-9-4-2-5-10-16)13-8-14-21(20)24-17-11-6-3-7-12-18(17)25-21/h2,4-5,8-10,14,17-18H,3,6-7,11-13,15H2,1H3/t17-,18-,20+/m1/s1
InChIKey NQWLTJWBGXEQCX-GGPKGHCWSA-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 342.435 g/mol
Solvent CDCl3
Source File Reference UWLU8229