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2-Methyl-3-(2'-methylenecyclohexyl)propanal
SpectraBase Compound ID 4ni20JET8wO
InChI InChI=1S/C11H18O/c1-9(8-12)7-11-6-4-3-5-10(11)2/h8-9,11H,2-7H2,1H3
InChIKey GHDQUVMUZFCMHN-UHFFFAOYSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BqBE0AgnQDt
Name 2-Methyl-3-(2'-methylenecyclohexyl)propanal
Appearance Light yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O
InChI InChI=1S/C11H18O/c1-9(8-12)7-11-6-4-3-5-10(11)2/h8-9,11H,2-7H2,1H3
InChIKey GHDQUVMUZFCMHN-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 166.264 g/mol
SMILES C(C(CC1C(CCCC1)=C)C)=O
SPLASH splash10-0536-9300000000-2edc67f02a906d3075d0
Sample Comments Mixture of two diastereomers, dr = 3:2, dr = 3:2
Source of Spectrum GB2529901A
Wiley ID 1852969