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(R)-2-Benzyl 1-Methyl 3,6-Dimethyl-2,4-cyclohexadiene-1,2-dicarboxylate
SpectraBase Compound ID BDCxyQ0WT92
InChI InChI=1S/C18H20O4/c1-12-9-10-13(2)16(15(12)17(19)21-3)18(20)22-11-14-7-5-4-6-8-14/h4-10,12,15H,11H2,1-3H3/t12-,15+/m1/s1
InChIKey IKQCVWXUHLRAJK-DOMZBBRYSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ByeHLfbyVH5
Name (R)-2-Benzyl 1-Methyl 3,6-Dimethyl-2,4-cyclohexadiene-1,2-dicarboxylate
Alternate Name(s) (R)-2-Benzyl 1-Methyl 4,5-Dimethyl-2,4-cyclohexadiene-1,2-dicarboxylate
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Formula C18H20O4
InChI InChI=1S/C18H20O4/c1-12-9-10-13(2)16(15(12)17(19)21-3)18(20)22-11-14-7-5-4-6-8-14/h4-10,12,15H,11H2,1-3H3/t12-,15+/m1/s1
InChIKey IKQCVWXUHLRAJK-DOMZBBRYSA-N
Molecular Weight 300.354 g/mol
SMILES C=1([C@@](C(=O)OC)([C@](C)(C=CC1C)[H])[H])C(OCc1ccccc1)=O
SPLASH splash10-0006-9300000000-072620922bf9409576eb
Source of Spectrum J-59-1507-7g
Wiley ID 1303080