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[(1R,3aR,7Z,7aR)-7-ethylidene-6-[(1S)-1,3,3-trimethylcyclohexyl]-3,3a,4,7a-tetrahydro-1H-2-benzofuran-1-yl] acetate
SpectraBase Compound ID 1gyy87l9Mpi
InChI InChI=1S/C21H32O3/c1-6-16-17(21(5)11-7-10-20(3,4)13-21)9-8-15-12-23-19(18(15)16)24-14(2)22/h6,9,15,18-19H,7-8,10-13H2,1-5H3/b16-6+/t15-,18+,19+,21-/m0/s1
InChIKey PJDVTRLTGORAAO-HWTLHDALSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 352AC2Wfj5V
Name [(1R,3aR,7Z,7aR)-7-ethylidene-6-[(1S)-1,3,3-trimethylcyclohexyl]-3,3a,4,7a-tetrahydro-1H-2-benzofuran-1-yl] acetate
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-6-16-17(21(5)11-7-10-20(3,4)13-21)9-8-15-12-23-19(18(15)16)24-14(2)22/h6,9,15,18-19H,7-8,10-13H2,1-5H3/b16-6+/t15-,18+,19+,21-/m0/s1
InChIKey PJDVTRLTGORAAO-HWTLHDALSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 332.483 g/mol
Source File Reference MHKO22462