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Pentacyclo[5.5.0.0(2,4).0(3,5).0(8,12)]dodecan-9-one
SpectraBase Compound ID CfC1YAWg885
InChI InChI=1S/C12H14O/c13-7-2-1-4-8(7)5-3-6-10-11(6)12(10)9(4)5/h4-6,8-12H,1-3H2/t4?,5?,6?,8?,9?,10-,11+,12?
InChIKey CGIQRRFXGMPDJU-JNYOGJABSA-N
Mol Weight 174.24 g/mol
Molecular Formula C12H14O
Exact Mass 174.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yIgIsiDMu
Name Pentacyclo[5.5.0.0(2,4).0(3,5).0(8,12)]dodecan-9-one
Alternate Name(s) Pentacyclo[5.5.0.0(2,4).0(3,5).0(8,12)]dodecan-9(1)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O
InChI InChI=1S/C12H14O/c13-7-2-1-4-8(7)5-3-6-10-11(6)12(10)9(4)5/h4-6,8-12H,1-3H2/t4?,5?,6?,8?,9?,10-,11+,12?
InChIKey CGIQRRFXGMPDJU-JNYOGJABSA-N
Molecular Weight 174.243 g/mol
SMILES [C@@]12([C@]3(C2CC2C4C(=O)CCC4C2C13)[H])[H]
SPLASH splash10-0006-9200000000-2bb37fb6ddd7065ebd21
Source of Spectrum U-1997-1140-17
Wiley ID 769875