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2-[(1R,5R,6R)-5-isopropyl-2-methyl-6-vinyl-cyclohex-2-en-1-yl]acetic acid
SpectraBase Compound ID EnxsV1Fxpu8
InChI InChI=1S/C14H22O2/c1-5-11-12(9(2)3)7-6-10(4)13(11)8-14(15)16/h5-6,9,11-13H,1,7-8H2,2-4H3,(H,15,16)/t11-,12-,13+/m1/s1
InChIKey RNQQALHZUBSFIM-UPJWGTAASA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9q6Ih7iiVXv
Name 2-[(1R,5R,6R)-5-isopropyl-2-methyl-6-vinyl-cyclohex-2-en-1-yl]acetic acid
Alternate Name(s) 2-[(1R,5R,6R)-6-ethenyl-2-methyl-5-propan-2-yl-1-cyclohex-2-enyl]acetic acid 2-[(1R,5R,6R)-6-ethenyl-2-methyl-5-propan-2-yl-cyclohex-2-en-1-yl]ethanoic acid 2-[(1R,5R,6R)-6-ethenyl-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetic acid
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Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-5-11-12(9(2)3)7-6-10(4)13(11)8-14(15)16/h5-6,9,11-13H,1,7-8H2,2-4H3,(H,15,16)/t11-,12-,13+/m1/s1
InChIKey RNQQALHZUBSFIM-UPJWGTAASA-N
Molecular Weight 222.328 g/mol
SMILES OC(C[C@@]1([C@@]([C@@](C(C)C)(CC=C1C)[H])(C=C)[H])[H])=O
SPLASH splash10-001m-9600000000-8e66e701ccf47d8a6827
Source of Spectrum KC-1-326-26
Wiley ID 1577602