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4-Isopropyl-7-methyloct-4-enal
SpectraBase Compound ID At7ks34R9Wq
InChI InChI=1S/C12H22O/c1-10(2)7-8-12(11(3)4)6-5-9-13/h8-11H,5-7H2,1-4H3
InChIKey INKDHAYWBNZSBE-UHFFFAOYSA-N
Mol Weight 182.31 g/mol
Molecular Formula C12H22O
Exact Mass 182.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VknS2FH2Rd
Name 4-Isopropyl-7-methyloct-4-enal
Appearance Colorless oil
Carrier Gas Hydrogen
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O
InChI InChI=1S/C12H22O/c1-10(2)7-8-12(11(3)4)6-5-9-13/h8-11H,5-7H2,1-4H3
InChIKey INKDHAYWBNZSBE-UHFFFAOYSA-N
Instrument Name Agilent 5975C-7890A
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202200671
Molecular Weight 182.307 g/mol
Reported Formula C12H22O
SMILES CC(CC=C(CCC=O)C(C)C)C
SPLASH splash10-0awd-9300000000-781d24a94f822e29c697
Sample Comments E/Z = 53:47
Source of Spectrum CCC-14-SM5-2e
Thin-Layer Chromatography Rf = 0.69 (CH2Cl2)
Wiley ID 1876124