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1,4-Dimethoxy-7-methylbenzo[c]bicyclo[4.1.0]heptane dimer
SpectraBase Compound ID l1QFBaAlqN
InChI InChI=1S/C28H34O4/c1-27(19-11-15-16(12-20(19)27)24(30-4)8-7-23(15)29-3)28(2)21-13-17-18(14-22(21)28)26(32-6)10-9-25(17)31-5/h7-10,19-22H,11-14H2,1-6H3/t19-,20+,21-,22+,27+,28+
InChIKey GEIJJOSDBCMHPO-HIQIZCGLSA-N
Mol Weight 434.6 g/mol
Molecular Formula C28H34O4
Exact Mass 434.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GveXWvfjqva
Name 1,4-Dimethoxy-7-methylbenzo[c]bicyclo[4.1.0]heptane dimer
Alternate Name(s) (1R,1aS,7aR)-1-[(1R,1aR,7aS)-3,6-dimethoxy-1-methyl-1H,1aH,2H,7H,7aH-cyclopropa[b]naphthalen-1-yl]-3,6-dimethoxy-1-methyl-1H,1aH,2H,7H,7aH-cyclopropa[b]naphthalene 1,1'-Dimethyl-1,1'-bis[3,6-dimethoxy-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene]
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Formula C28H34O4
InChI InChI=1S/C28H34O4/c1-27(19-11-15-16(12-20(19)27)24(30-4)8-7-23(15)29-3)28(2)21-13-17-18(14-22(21)28)26(32-6)10-9-25(17)31-5/h7-10,19-22H,11-14H2,1-6H3/t19-,20+,21-,22+,27+,28+
InChIKey GEIJJOSDBCMHPO-HIQIZCGLSA-N
Molecular Weight 434.576 g/mol
SMILES [C@]1([C@]2([C@@]3(Cc4c(ccc(c4C[C@]23[H])OC)OC)[H])C)([C@@]2(Cc3c(ccc(c3C[C@]12[H])OC)OC)[H])C
SPLASH splash10-0016-8980100000-bc7d10efaa38ceb5bdfd
Source of Spectrum JA-50-457-15
Wiley ID 1383103