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5-[(1R,2S,4aS)-2-carbomethoxyoxy-2,5,5,8a-tetramethyl-decalin-1-yl]pent-2-ynoic acid methyl ester
SpectraBase Compound ID FJhzgI4XVDo
InChI InChI=1S/C22H34O5/c1-20(2)13-9-14-21(3)16(20)12-15-22(4,27-19(24)26-6)17(21)10-7-8-11-18(23)25-5/h16-17H,7,9-10,12-15H2,1-6H3/t16-,17+,21?,22-/m0/s1
InChIKey OOJQIKRAFULHQJ-WIJYIEBRSA-N
Mol Weight 378.5 g/mol
Molecular Formula C22H34O5
Exact Mass 378.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L1C6NyiFuxY
Name 5-[(1R,2S,4aS)-2-carbomethoxyoxy-2,5,5,8a-tetramethyl-decalin-1-yl]pent-2-ynoic acid methyl ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34O5
InChI InChI=1S/C22H34O5/c1-20(2)13-9-14-21(3)16(20)12-15-22(4,27-19(24)26-6)17(21)10-7-8-11-18(23)25-5/h16-17H,7,9-10,12-15H2,1-6H3/t16-,17+,21?,22-/m0/s1
InChIKey OOJQIKRAFULHQJ-WIJYIEBRSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 378.509 g/mol
Source File Reference MHKO16021