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1-(trans-4-isopropylcyclohexyl)propan-1-one
SpectraBase Compound ID LFTGMUQYfWp
InChI InChI=1S/C12H22O/c1-4-12(13)11-7-5-10(6-8-11)9(2)3/h9-11H,4-8H2,1-3H3/t10-,11-
InChIKey ZDFJIHWPDJQBMQ-XYPYZODXSA-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 Fv0pyQjO8yz
Name 1-(trans-4-isopropylcyclohexyl)propan-1-one
Appearance Colorless oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 182.167065327 u
Formula C12H22O
GC Column Agilent 190915-433UI (30 m x 250 microm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C12H22O/c1-4-12(13)11-7-5-10(6-8-11)9(2)3/h9-11H,4-8H2,1-3H3/t10-,11-
InChIKey ZDFJIHWPDJQBMQ-XYPYZODXSA-N
Instrument Name Agilent 8890-5977B
Ionization Type EI
Literature Reference DOI 10.1002/chem.202202212
Molecular Weight 182.307 g/mol
Quality 251
SMILES C(C)(C)[C@]1(CC[C@@](CC1)(C(CC)=O)[H])[H]
SPLASH splash10-0159-9700000000-9228b232dfae8be2b880
Source of Spectrum QE-28-SM108-3ha(SM108) (DOI: 10.1002/chem.202202212)
Thin-Layer Chromatography 0.44 (nHex/EA, 98:2)
Wiley ID 1902383