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1-Pentanone, 1-(3-methylbicyclo[4.1.0]hept-7-yl)-
SpectraBase Compound ID CuNXZkxIYuJ
InChI InChI=1S/C13H22O/c1-3-4-5-12(14)13-10-7-6-9(2)8-11(10)13/h9-11,13H,3-8H2,1-2H3
InChIKey LHEUEDHEEGQWOL-UHFFFAOYSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 417tPkecVc
Name 1-Pentanone, 1-(3-methylbicyclo[4.1.0]hept-7-yl)-
Alternate Name(s) 1-(3-Methylbicyclo[4.1.0]hept-7-yl)-1-pentanone 1-(3-Methylnorcaran-7-yl)pentan-1-one 1-(4-Methyl-7-bicyclo[4.1.0]heptanyl)-1-pentanone 1-(4-Methyl-7-bicyclo[4.1.0]heptanyl)pentan-1-one
CAS Registry Number 54764-61-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-3-4-5-12(14)13-10-7-6-9(2)8-11(10)13/h9-11,13H,3-8H2,1-2H3
InChIKey LHEUEDHEEGQWOL-UHFFFAOYSA-N
Molecular Weight 194.318 g/mol
SMILES C(CCCC)(=O)C1C2CCC(CC12)C
SPLASH splash10-052u-9400000000-2e80c3032d4ec4c3f43a
Source of Spectrum SD-1981-0-0
Wiley ID 1191400