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(3a.alpha.,3b.alpha.,6a.alpha.,7a.alpha.)-1,2,3a,3b,6,6a,7,7a-Octahydro-4-methyl-3H-cyclopenta[a]pentalen-3-one
SpectraBase Compound ID 4Le2XCEcMY7
InChI InChI=1S/C12H16O/c1-7-2-3-8-6-9-4-5-10(13)12(9)11(7)8/h2,8-9,11-12H,3-6H2,1H3/t8-,9+,11-,12-/m1/s1
InChIKey YJSVMXONFJVOSV-RBLKWDMZSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5vAQVC61MO
Name (3a.alpha.,3b.alpha.,6a.alpha.,7a.alpha.)-1,2,3a,3b,6,6a,7,7a-Octahydro-4-methyl-3H-cyclopenta[a]pentalen-3-one
Alternate Name(s) (3aS,3bR,6aS,7aS)-4-methyl-1,2,3a,3b,6,6a,7,7a-octahydro-3H-cyclopenta[a]pentalen-3-one
CAS Registry Number 91632-95-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-7-2-3-8-6-9-4-5-10(13)12(9)11(7)8/h2,8-9,11-12H,3-6H2,1H3/t8-,9+,11-,12-/m1/s1
InChIKey YJSVMXONFJVOSV-RBLKWDMZSA-N
Molecular Weight 176.259 g/mol
SMILES [C@@]12([C@@](C[C@]3([C@@]2(C(CC3)=O)[H])[H])(CC=C1C)[H])[H]
SPLASH splash10-002b-9100000000-8a5edfd69b3355b66245
Source of Spectrum J-49-3850-0
Wiley ID 1172717