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(2a.alpha.,4a.alpha.,5.beta.,7a.alpha.,7b.alpha.)-2,2a,3,4,4a,5,7a,7b-octahydro-5-methyl-4-oxo-1H-cyclopenta[cd]indene-2,2-di(methoxycarbonyl)

View entire compound with spectra: 1 MS (GC)

(2a.alpha.,4a.alpha.,5.beta.,7a.alpha.,7b.alpha.)-2,2a,3,4,4a,5,7a,7b-octahydro-5-methyl-4-oxo-1H-cyclopenta[cd]indene-2,2-di(methoxycarbonyl)
SpectraBase Compound ID 4buDjbOR69s
InChI InChI=1S/C16H20O5/c1-8-4-5-9-7-16(14(18)20-2,15(19)21-3)10-6-11(17)12(8)13(9)10/h4-5,8-10,12-13H,6-7H2,1-3H3/t8-,9-,10-,12+,13-/m1/s1
InChIKey JRGZECUGIWOKST-HQPVMZNJSA-N
Mol Weight 292.33 g/mol
Molecular Formula C16H20O5
Exact Mass 292.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3oTmIQEcN7Z
Name (2a.alpha.,4a.alpha.,5.beta.,7a.alpha.,7b.alpha.)-2,2a,3,4,4a,5,7a,7b-octahydro-5-methyl-4-oxo-1H-cyclopenta[cd]indene-2,2-di(methoxycarbonyl)
CAS Registry Number 110027-68-4
Comments Removed - unrepairable contamination (CH2Cl2)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O5
InChI InChI=1S/C16H20O5/c1-8-4-5-9-7-16(14(18)20-2,15(19)21-3)10-6-11(17)12(8)13(9)10/h4-5,8-10,12-13H,6-7H2,1-3H3/t8-,9-,10-,12+,13-/m1/s1
InChIKey JRGZECUGIWOKST-HQPVMZNJSA-N
Molecular Weight 292.331 g/mol
SMILES C1([C@]2([C@@]3([C@]([C@](C)(C=C[C@@]3(C1)[H])[H])([H])C(C2)=O)[H])[H])(C(=O)OC)C(=O)OC
SPLASH splash10-001r-9000000000-21f2783a8c60b36d58f2
Source of Spectrum K-120-2010-8
Synonyms dimethyl (2aR,4aR,5R,7aS,7bR)-5-methyl-4-oxo-1,2a,3,4,4a,5,7a,7b-octahydro-2H-cyclopenta[cd]indene-2,2-dicarboxylate
Wiley ID 1295396