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5-Dimethylheptylisocannabigerol
SpectraBase Compound ID GG8t1TVpcV2
InChI InChI=1S/C25H40O2/c1-7-8-9-10-16-25(5,6)23-17-21(26)18-24(27)22(23)15-14-20(4)13-11-12-19(2)3/h12,14,17-18,26-27H,7-11,13,15-16H2,1-6H3/b20-14+
InChIKey WYOPMZCQWLNYNA-XSFVSMFZSA-N
Mol Weight 372.6 g/mol
Molecular Formula C25H40O2
Exact Mass 372.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24zuS5o7gpn
Name 5-Dimethylheptylisocannabigerol
Alternate Name(s) 5-(1,1-dimethylheptyl)-4-[(2E)-3,7-dimethyl-2,6-octadienyl]-1,3-benzenediol
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Formula C25H40O2
InChI InChI=1S/C25H40O2/c1-7-8-9-10-16-25(5,6)23-17-21(26)18-24(27)22(23)15-14-20(4)13-11-12-19(2)3/h12,14,17-18,26-27H,7-11,13,15-16H2,1-6H3/b20-14+
InChIKey WYOPMZCQWLNYNA-XSFVSMFZSA-N
Molecular Weight 372.593 g/mol
SMILES Oc1cc(cc(c1C\C=C\(CCC=C(C)C)C)C(CCCCCC)(C)C)O
SPLASH splash10-0gbj-7952000000-9c13e495c1451eef4028
Source of Spectrum QB-16-296-17
Wiley ID 841474