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ethyl 2-(1,2,2-trimethylcyclohexyl)acetate
SpectraBase Compound ID LVzqMQXoxPN
InChI InChI=1S/C13H24O2/c1-5-15-11(14)10-13(4)9-7-6-8-12(13,2)3/h5-10H2,1-4H3
InChIKey HFPTZXCDZCASIV-UHFFFAOYSA-N
Mol Weight 212.33 g/mol
Molecular Formula C13H24O2
Exact Mass 212.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hc6UfIpDiCJ
Name ethyl 2-(1,2,2-trimethylcyclohexyl)acetate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O2
InChI InChI=1S/C13H24O2/c1-5-15-11(14)10-13(4)9-7-6-8-12(13,2)3/h5-10H2,1-4H3
InChIKey HFPTZXCDZCASIV-UHFFFAOYSA-N
Instrument Name MSD5975C
Ionization Type EI
Molecular Weight 212.333 g/mol
SMILES C(OC(=O)CC1(C)CCCCC1(C)C)C
SPLASH splash10-05r0-9800000000-40ea603102a7aa7d019c
Sample Comments Major isomer
Source of Spectrum WO2017097884A1
Wiley ID 1855411