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1,3,3,4-Tetramethyl-bicyclo[2.2.2]octan-2-one
SpectraBase Compound ID 1zqbyCgBNhJ
InChI InChI=1S/C12H20O/c1-10(2)9(13)11(3)5-7-12(10,4)8-6-11/h5-8H2,1-4H3/t11-,12+
InChIKey ZPCNNSKTPHQHBH-TXEJJXNPSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1GiGuGKkzbw
Name 1,3,3,4-Tetramethyl-bicyclo[2.2.2]octan-2-one
Classification Ketones
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 180.151415263 u
Formula C12H20O
InChI InChI=1S/C12H20O/c1-10(2)9(13)11(3)5-7-12(10,4)8-6-11/h5-8H2,1-4H3/t11-,12+
InChIKey ZPCNNSKTPHQHBH-TXEJJXNPSA-N
Molecular Weight 180.291 g/mol
Number of Peaks 7
SMILES C1[C@]2(C(C([C@@](C1)(CC2)C)=O)(C)C)C
SPLASH splash10-0a4i-1900000000-c9b0087475681ff53206
Source of Spectrum FF-8-300-16 (DOI: 10.1002/ffj.2730080603)
Synonyms (1s,4s)-1,3,3,4-tetramethylbicyclo[2.2.2]octan-2-one
Wiley ID 1801257