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4-(3,3-Dimethylcyclohexylidene)butanal
SpectraBase Compound ID 8EJeRn6k7KN
InChI InChI=1S/C12H20O/c1-12(2)8-5-7-11(10-12)6-3-4-9-13/h6,9H,3-5,7-8,10H2,1-2H3
InChIKey DPJMNIDAPQMVJY-UHFFFAOYSA-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 1vYBZbHz42d
Name 4-(3,3-Dimethylcyclohexylidene)butanal
Appearance Colorless oil
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-12(2)8-5-7-11(10-12)6-3-4-9-13/h6,9H,3-5,7-8,10H2,1-2H3
InChIKey DPJMNIDAPQMVJY-UHFFFAOYSA-N
Instrument Name Agilent 5975C-7890A
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202200671
Molecular Weight 180.291 g/mol
Reported Formula C12H20O
SMILES C1CC(CC(C1)(C)C)=CCCC=O
SPLASH splash10-066u-9600000000-8b1191aaf65f42333ad1
Sample Comments E/Z = 54:46
Source of Spectrum CCC-14-SM7-2j
Thin-Layer Chromatography Rf = 0.60 (CH2Cl2)
Wiley ID 1876129