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acetic acid [(1S,6R)-3-formyl-6-(5-methyl-1-methylene-hex-4-en-2-ynyl)-1-cyclohex-3-enyl] ester
SpectraBase Compound ID Da3ijpdTkR1
InChI InChI=1S/C17H20O3/c1-12(2)6-5-7-13(3)16-9-8-15(11-18)10-17(16)20-14(4)19/h6,8,11,16-17H,3,9-10H2,1-2,4H3/t16-,17+/m1/s1
InChIKey ZIRLTQBAZRIXSS-SJORKVTESA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EcqqB2QR6EG
Name acetic acid [(1S,6R)-3-formyl-6-(5-methyl-1-methylene-hex-4-en-2-ynyl)-1-cyclohex-3-enyl] ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-12(2)6-5-7-13(3)16-9-8-15(11-18)10-17(16)20-14(4)19/h6,8,11,16-17H,3,9-10H2,1-2,4H3/t16-,17+/m1/s1
InChIKey ZIRLTQBAZRIXSS-SJORKVTESA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 272.344 g/mol
Source File Reference MHKO13003