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(3aR,3bS,6aS,7aS)-3a,5,5,7a-tetramethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[f]pentalene-3,3-dicarboxylic acid diethyl ester
SpectraBase Compound ID IqvMiXVqYua
InChI InChI=1S/C21H34O4/c1-7-24-16(22)21(17(23)25-8-2)10-9-19(5)12-14-11-18(3,4)13-15(14)20(19,21)6/h14-15H,7-13H2,1-6H3/t14-,15-,19-,20+/m0/s1
InChIKey FWUGMMGLBLAUSX-HZVDNRATSA-N
Mol Weight 350.5 g/mol
Molecular Formula C21H34O4
Exact Mass 350.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ALFAJjyvLH
Name (3aR,3bS,6aS,7aS)-3a,5,5,7a-tetramethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[f]pentalene-3,3-dicarboxylic acid diethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C21H34O4
InChI InChI=1S/C21H34O4/c1-7-24-16(22)21(17(23)25-8-2)10-9-19(5)12-14-11-18(3,4)13-15(14)20(19,21)6/h14-15H,7-13H2,1-6H3/t14-,15-,19-,20+/m0/s1
InChIKey FWUGMMGLBLAUSX-HZVDNRATSA-N
Molecular Weight 350.499 g/mol
SMILES [C@]12(C(C(=O)OCC)(C(=O)OCC)CC[C@]2(C[C@]2([C@@]1(CC(C)(C)C2)[H])[H])C)C
SPLASH splash10-03di-0900000000-b0e19b5d1c21e6d6e4b5
Source of Spectrum F-54-10716-9
Synonyms diethyl (3aR,3bS,6aS,7aS)-3a,5,5,7a-tetramethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[f]pentalene-3,3-dicarboxylate
Wiley ID 808694