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(3aS,7aS)-5,5-dimethyl-4-methylidene-2,3,3a,6,7,7a-hexahydroinden-1-one
SpectraBase Compound ID HNLFkqN9xHZ
InChI InChI=1S/C12H18O/c1-8-9-4-5-11(13)10(9)6-7-12(8,2)3/h9-10H,1,4-7H2,2-3H3/t9-,10+/m1/s1
InChIKey KYWKIOUPLRSGGQ-ZJUUUORDSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IYXfhgCETKr
Name (3aS,7aS)-5,5-dimethyl-4-methylene-2,3,3a,6,7,7a-hexahydroinden-1-one
Alternate Name(s) (3aS,7aS)-5,5-dimethyl-4-methylidene-2,3,3a,6,7,7a-hexahydroinden-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-8-9-4-5-11(13)10(9)6-7-12(8,2)3/h9-10H,1,4-7H2,2-3H3/t9-,10+/m1/s1
InChIKey KYWKIOUPLRSGGQ-ZJUUUORDSA-N
Molecular Weight 178.275 g/mol
SMILES C1([C@@]2([C@](C(=O)CC2)([H])CCC1(C)C)[H])=C
SPLASH splash10-056u-7900000000-b5be825eabedf360b572
Source of Spectrum H-80-145-0
Wiley ID 1174796