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Bicyclo[4.2.0]octane-2-acetic acid, 3,7-dimethyl-7-(4-methylpentyl)-8-oxo-, [1R-(1.alpha.,2.beta.,3.beta.,6.alpha.,7.beta.)]-
SpectraBase Compound ID Cy36Z20LDn4
InChI InChI=1S/C18H30O3/c1-11(2)6-5-9-18(4)14-8-7-12(3)13(10-15(19)20)16(14)17(18)21/h11-14,16H,5-10H2,1-4H3,(H,19,20)/t12-,13-,14+,16-,18+/m1/s1
InChIKey IZPRENFHTIBCLS-CNKGYHKASA-N
Mol Weight 294.43 g/mol
Molecular Formula C18H30O3
Exact Mass 294.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Heh7NQH8s7i
Name Bicyclo[4.2.0]octane-2-acetic acid, 3,7-dimethyl-7-(4-methylpentyl)-8-oxo-, [1R-(1.alpha.,2.beta.,3.beta.,6.alpha.,7.beta.)]-
Alternate Name(s) [(1R,2R,3R,6S,7S)-3,7-dimethyl-7-(4-methylpentyl)-8-oxobicyclo[4.2.0]oct-2-yl]acetic acid [1R-(1.alpha.,2.beta.,3.beta.,6.alpha.,7.alpha.,8.beta.)]-8-oxo-3,7-dimethyl-7-(4-methylpentyl)bicyclo[4.2.0]octane-2-acetic acid
CAS Registry Number 78037-27-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30O3
InChI InChI=1S/C18H30O3/c1-11(2)6-5-9-18(4)14-8-7-12(3)13(10-15(19)20)16(14)17(18)21/h11-14,16H,5-10H2,1-4H3,(H,19,20)/t12-,13-,14+,16-,18+/m1/s1
InChIKey IZPRENFHTIBCLS-CNKGYHKASA-N
Molecular Weight 294.435 g/mol
SMILES OC(C[C@]1([C@]2(C([C@]([C@]2(CC[C@]1(C)[H])[H])(CCCC(C)C)C)=O)[H])[H])=O
SPLASH splash10-0006-0930000000-52796ed72d81b50ea0e1
Source of Spectrum F-36-3258-0
Wiley ID 1297468