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2-(S)-(5',5'-Dimethyl-2'-cyclopentenyloxy)methyl-1-cyclohexene-1-carboxylic acid isomer
SpectraBase Compound ID 7DTEX2BdWz3
InChI InChI=1S/C15H22O3/c1-15(2)9-5-8-13(15)18-10-11-6-3-4-7-12(11)14(16)17/h5,8,13H,3-4,6-7,9-10H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKey PBLDSDPZVQVBGA-ZDUSSCGKSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6dVcbxs9Zz
Name 2-(S)-(5',5'-Dimethyl-2'-cyclopentenyloxy)methyl-1-cyclohexene-1-carboxylic acid isomer
Alternate Name(s) 2-(5',5'-Dimethyl-2'-cyclopentenyloxy)methyl-1-cyclohexene-1-carboxylic acid isomer 2-({[(1S)-5,5-dimethyl-2-cyclopenten-1-yl]oxy}methyl)-1-cyclohexene-1-carboxylic acid
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Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-15(2)9-5-8-13(15)18-10-11-6-3-4-7-12(11)14(16)17/h5,8,13H,3-4,6-7,9-10H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKey PBLDSDPZVQVBGA-ZDUSSCGKSA-N
Molecular Weight 250.338 g/mol
SMILES OC(C1=C(CO[C@@]2(C(CC=C2)(C)C)[H])CCCC1)=O
SPLASH splash10-000i-0900000000-311b0b9f49e2d3e7ff2e
Source of Spectrum F-53-12333-29
Wiley ID 803606