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2-((2S,5R)-2-Allyl-5-methyl-cyclohexyl)-5-pentyl-benzene-1,3-diol
SpectraBase Compound ID 9cNFiPehFUq
InChI InChI=1S/C21H32O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h12-13,15,17-18,22-23H,2,5-11H2,1,3-4H3/t15-,17+,18?/m1/s1
InChIKey CODIXLGYYWMJFS-OEQNEYKNSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B05hYcubSCG
Name 2-((2S,5R)-2-Allyl-5-methyl-cyclohexyl)-5-pentyl-benzene-1,3-diol
Alternate Name(s) 2-((2S,5R)-2-Isopropenyl-l-5-methyl-cyclohexyl)-5-pentyl-benzene-1,3-diol 2-[(2S,5R)-2-allyl-5-methylcyclohexyl]-5-pentyl-1,3-benzenediol 2-[1'-Methyl-4'-(Isopropenyl)cyclohex-3'-yl]-1,3-dihydroxy-5-pentylbenzene 2-[1'-Methyl-4'-(prop-2''-enyl)cyclohex-3'-yl]-1,3-dihydroxy-5-pentylbenzene
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Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h12-13,15,17-18,22-23H,2,5-11H2,1,3-4H3/t15-,17+,18?/m1/s1
InChIKey CODIXLGYYWMJFS-OEQNEYKNSA-N
Molecular Weight 316.485 g/mol
SMILES Oc1c(c(cc(c1)CCCCC)O)C1[C@](C(=C)C)(CC[C@](C1)(C)[H])[H]
SPLASH splash10-00sl-3393000000-4649715face375e7217a
Source of Spectrum SK-30-1435-6
Wiley ID 881175