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3,3-Dimethylpentan-2-one
SpectraBase Compound ID KQZZvcBYeD8
InChI InChI=1S/C7H14O/c1-5-7(3,4)6(2)8/h5H2,1-4H3
InChIKey QSHJLBQLQVSEFV-UHFFFAOYSA-N
Mol Weight 114.19 g/mol
Molecular Formula C7H14O
Exact Mass 114.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IEzsww2xuf
Name 3,3-Dimethylpentan-2-one
CAS Registry Number 20669-04-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O
InChI InChI=1S/C7H14O/c1-5-7(3,4)6(2)8/h5H2,1-4H3
InChIKey QSHJLBQLQVSEFV-UHFFFAOYSA-N
Molecular Weight 114.188 g/mol
SMILES CC(CC)(C)C(C)=O
SPLASH splash10-0006-9000000000-ab2c845fd83e09a5e54d
Synonyms 3,3-Dimethyl-2-pentanone C2H5C(CH3)2COCH3
Wiley ID 1476916