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(3.alpha.,3a.beta.,7a.beta.)-2,3,3a,7,7a-Hexahydro-3-methyl-3-9phenylmethyl)-1H-indene-1,1-dicarboxylic acid - Dimethyl ester
SpectraBase Compound ID E857FtsFxWh
InChI InChI=1S/C21H26O4/c1-20(13-15-9-5-4-6-10-15)14-21(18(22)24-2,19(23)25-3)17-12-8-7-11-16(17)20/h4-7,9-11,16-17H,8,12-14H2,1-3H3/t16-,17+,20+/m1/s1
InChIKey KDVPKIDYCXVGRX-UWVAXJGDSA-N
Mol Weight 342.44 g/mol
Molecular Formula C21H26O4
Exact Mass 342.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxJkBOqJSJ2
Name (3.alpha.,3a.beta.,7a.beta.)-2,3,3a,7,7a-Hexahydro-3-methyl-3-9phenylmethyl)-1H-indene-1,1-dicarboxylic acid - Dimethyl ester
Alternate Name(s) (3.alpha.,3a.beta.,7a.beta.)-2,3,3a,7,7a-Hexahydro-3-methyl-3-phenylmethyl)-1H-indene-1,1-dicarboxylic acid - Dimethyl ester (3S,3aR,7aS)-dimethyl 3-benzyl-3-methyl-3,3a,7,7a-tetrahydro-1H-indene-1,1(2H,6H)-dicarboxylate
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Formula C21H26O4
InChI InChI=1S/C21H26O4/c1-20(13-15-9-5-4-6-10-15)14-21(18(22)24-2,19(23)25-3)17-12-8-7-11-16(17)20/h4-7,9-11,16-17H,8,12-14H2,1-3H3/t16-,17+,20+/m1/s1
InChIKey KDVPKIDYCXVGRX-UWVAXJGDSA-N
Molecular Weight 342.435 g/mol
SMILES C1([C@@]2([C@](C=CCC2)([H])[C@](C1)(Cc1ccccc1)C)[H])(C(=O)OC)C(=O)OC
SPLASH splash10-000x-1920000000-045a7b8519c406a9543e
Source of Spectrum F5-6-3012-37
Wiley ID 1733519