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METACHROMINE-F
SpectraBase Compound ID BKQyl0sikyn
InChI InChI=1S/C25H36O4/c1-6-7-15-29-22-16-21(26)23(27)20(24(22)28)11-10-17(2)12-14-25(5)13-8-9-18(3)19(25)4/h10,16,18,27H,4,6-9,11-15H2,1-3,5H3/b17-10+/t18-,25-/m1/s1
InChIKey SNRIAYKUIORQGQ-FFGWGYDLSA-N
Mol Weight 400.6 g/mol
Molecular Formula C25H36O4
Exact Mass 400.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJVV4shSi5c
Name 5-Butoxy-3-[(E)-5-[(1R,3R)-1,3-dimethyl-2-methylene-cyclohexyl]-3-methyl-pent-2-enyl]-2-hydroxy-1,4-benzoquinone
Alternate Name(s) 5-Butoxy-3-[(E)-5-[(1R,3R)-1,3-dimethyl-2-methylene-cyclohexyl]-3-methyl-pent-2-enyl]-2-hydroxy-p-benzoquinone 5-Butoxy-3-[(E)-5-[(1R,3R)-1,3-dimethyl-2-methylenecyclohexyl]-3-methylpent-2-enyl]-2-hydroxycyclohexa-2,5-diene-1,4-dione 5-Butoxy-3-[(E)-5-[(1R,3R)-1,3-dimethyl-2-methylidene-cyclohexyl]-3-methyl-pent-2-enyl]-2-oxidanyl-cyclohexa-2,5-diene-1,4-dione 5-Butoxy-3-[(E)-5-[(1R,3R)-1,3-dimethyl-2-methylidenecyclohexyl]-3-methylpent-2-enyl]-2-hydroxycyclohexa-2,5-diene-1,4-dione
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Formula C25H36O4
InChI InChI=1S/C25H36O4/c1-6-7-15-29-22-16-21(26)23(27)20(24(22)28)11-10-17(2)12-14-25(5)13-8-9-18(3)19(25)4/h10,16,18,27H,4,6-9,11-15H2,1-3,5H3/b17-10+/t18-,25-/m1/s1
InChIKey SNRIAYKUIORQGQ-FFGWGYDLSA-N
Molecular Weight 400.559 g/mol
SMILES OC1=C(C(C(=CC1=O)OCCCC)=O)C\C=C\(CC[C@@]1(C(=C)[C@](C)(CCC1)[H])C)C
SPLASH splash10-0a4i-1930200000-66bed2a97bc726ead2f7
Source of Spectrum J-57-5775-3
Wiley ID 1369599