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(+/-)-7-BETA-(2-ACETOXY-1-ALPHA-METHYLETHYL)-4-BETA-METHYL-2-CYCLOHEPTEN-1-BETA-OL
SpectraBase Compound ID JK6kiHwHQaP
InChI InChI=1S/C13H22O3/c1-9-4-6-12(13(15)7-5-9)10(2)8-16-11(3)14/h5,7,9-10,12-13,15H,4,6,8H2,1-3H3/t9-,10+,12-,13-/m0/s1
InChIKey WTUHTSPZNBKKIM-LFSVMHDDSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Elp9APQdP7Z
Name (+/-)-7-BETA-(2-ACETOXY-1-ALPHA-METHYLETHYL)-4-BETA-METHYL-2-CYCLOHEPTEN-1-BETA-OL
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-9-4-6-12(13(15)7-5-9)10(2)8-16-11(3)14/h5,7,9-10,12-13,15H,4,6,8H2,1-3H3/t9-,10+,12-,13-/m0/s1
InChIKey WTUHTSPZNBKKIM-LFSVMHDDSA-N
Literature Reference Author F.SHIMOMA,H.KUSAKA,K.WADA,H.AZAMI,M.YASUNAMI,T.SUZUKI,H.HAGI WARA,M.ANDO
Literature Reference Citation J.ORG.CHEM.,63,920(1998)
Literature Reference DOI 10.1021/jo971529q
Molecular Weight 226.316 g/mol
Sample ID 33438
Solvent CDCl3