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4-oxopentyl 2-(3,3-dimethylcyclohexyl)propanoate
SpectraBase Compound ID DuWoL8ONTlo
InChI InChI=1S/C16H28O3/c1-12(17)7-6-10-19-15(18)13(2)14-8-5-9-16(3,4)11-14/h13-14H,5-11H2,1-4H3
InChIKey FORFGNRIHXKKDX-UHFFFAOYSA-N
Mol Weight 268.4 g/mol
Molecular Formula C16H28O3
Exact Mass 268.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jlnhrgd5Rm6
Name 4-oxopentyl 2-(3,3-dimethylcyclohexyl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O3
InChI InChI=1S/C16H28O3/c1-12(17)7-6-10-19-15(18)13(2)14-8-5-9-16(3,4)11-14/h13-14H,5-11H2,1-4H3
InChIKey FORFGNRIHXKKDX-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010
Ionization Type EI
Molecular Weight 268.397 g/mol
SMILES C(=O)(CCCOC(C(C)C1CC(CCC1)(C)C)=O)C
SPLASH splash10-000i-9000000000-a56ec1367fce19f8d4e3
Sample Comments Isomer 2, dr = 1:1
Source of Spectrum JPWO2019124533A1
Wiley ID 1879771