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trans-Methyl 2-(10b,10c-dimethyl-10b,10c-dihydropyrenyl)benzene-4-carboxylate
SpectraBase Compound ID D4uXfXjhekx
InChI InChI=1S/C26H22O2/c1-25-19-8-5-9-20(25)13-15-23-22(14-12-21(11-10-19)26(23,25)2)17-6-4-7-18(16-17)24(27)28-3/h4-16H,1-3H3/t25-,26-/m0/s1
InChIKey ITUNANYVWXBARV-UIOOFZCWSA-N
Mol Weight 366.46 g/mol
Molecular Formula C26H22O2
Exact Mass 366.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LRTdjdjez8
Name trans-Methyl 2-(10b,10c-dimethyl-10b,10c-dihydropyrenyl)benzene-4-carboxylate
Alternate Name(s) Methyl 3-[(10bS,10cS)-10b,10c-dimethyl-10b,10c-dihydro-1-pyrenyl]benzoate
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Formula C26H22O2
InChI InChI=1S/C26H22O2/c1-25-19-8-5-9-20(25)13-15-23-22(14-12-21(11-10-19)26(23,25)2)17-6-4-7-18(16-17)24(27)28-3/h4-16H,1-3H3/t25-,26-/m0/s1
InChIKey ITUNANYVWXBARV-UIOOFZCWSA-N
Molecular Weight 366.460 g/mol
SMILES [C@]12(c3c(-c4cc(C(=O)OC)ccc4)ccc1ccc1[C@]2(c(cc3)ccc1)C)C
SPLASH splash10-0f79-0219000000-8b00d01c12399d776693
Source of Spectrum J-62-4416-6
Wiley ID 1352322