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(2R,5S,8R,10R)-6,6-dimethyl-7-methylenetricyclo-[6.2.1.0(1,5)]undecane-2-carboxylic acid
SpectraBase Compound ID HsjTirzJULu
InChI InChI=1S/C15H22O2/c1-9-10-6-7-15(8-10)11(13(16)17)4-5-12(15)14(9,2)3/h10-12H,1,4-8H2,2-3H3,(H,16,17)/t10-,11+,12-,15+/m1/s1
InChIKey ANQAQROTXVSMMN-ZAZJYDDPSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID z54tfs18Lp
Name (2R,5S,8R,10R)-6,6-dimethyl-7-methylenetricyclo-[6.2.1.0(1,5)]undecane-2-carboxylic acid
Classification Sesquiterpenoids
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 234.161979946 u
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-9-10-6-7-15(8-10)11(13(16)17)4-5-12(15)14(9,2)3/h10-12H,1,4-8H2,2-3H3,(H,16,17)/t10-,11+,12-,15+/m1/s1
InChIKey ANQAQROTXVSMMN-ZAZJYDDPSA-N
Molecular Weight 234.339 g/mol
Number of Peaks 20
SMILES OC(=O)[C@]1([C@@]23C[C@](C(C([C@]3(CC1)[H])(C)C)=C)(CC2)[H])[H]
SPLASH splash10-00ke-3910000000-830d93db65913b68dcd6
Source of Spectrum FF-22-490-4 (DOI: 10.1002/ffj.1828)
Synonyms 2-Epi-Prezizanoic acid (3R,3aR,6R,8aS)-8,8-dimethyl-7-methyleneoctahydro-1H-3a,6-methanoazulene-3-carboxylic acid
Wiley ID 1775492