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2-((2-(3,3-dimethylcyclohexyl)propanoyl)oxy)ethyl isobutyrate
SpectraBase Compound ID 8iHA3tWnYVv
InChI InChI=1S/C17H30O4/c1-12(2)15(18)20-9-10-21-16(19)13(3)14-7-6-8-17(4,5)11-14/h12-14H,6-11H2,1-5H3
InChIKey DSHMJPJQNIURMO-UHFFFAOYSA-N
Mol Weight 298.42 g/mol
Molecular Formula C17H30O4
Exact Mass 298.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37YZefc4DDu
Name 2-((2-(3,3-dimethylcyclohexyl)propanoyl)oxy)ethyl isobutyrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O4
InChI InChI=1S/C17H30O4/c1-12(2)15(18)20-9-10-21-16(19)13(3)14-7-6-8-17(4,5)11-14/h12-14H,6-11H2,1-5H3
InChIKey DSHMJPJQNIURMO-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010
Ionization Type EI
Molecular Weight 298.423 g/mol
SMILES CC1(CC(CCC1)C(C(=O)OCCOC(C(C)C)=O)C)C
SPLASH splash10-0gb9-5900000000-57ee3b5701e498b15085
Sample Comments Isomer 2, dr = 1:1
Source of Spectrum JPWO2019124533A1
Wiley ID 1879792