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3-Oxo-1-(2',6',6'-trimethylcyclohex-2'-enyl)butyl 2,2-dimethylpropanoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3-Oxo-1-(2',6',6'-trimethylcyclohex-2'-enyl)butyl 2,2-dimethylpropanoate
SpectraBase Compound ID IkkkXh7DKml
InChI InChI=1S/C18H30O3/c1-12-9-8-10-18(6,7)15(12)14(11-13(2)19)21-16(20)17(3,4)5/h9,14-15H,8,10-11H2,1-7H3
InChIKey ZKHUTFBYRXFQMP-UHFFFAOYSA-N
Mol Weight 294.44 g/mol
Molecular Formula C18H30O3
Exact Mass 294.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2QummUvGCwF
Name 3-Oxo-1-(2',6',6'-trimethylcyclohex-2'-enyl)butyl 2,2-dimethylpropanoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30O3
InChI InChI=1S/C18H30O3/c1-12-9-8-10-18(6,7)15(12)14(11-13(2)19)21-16(20)17(3,4)5/h9,14-15H,8,10-11H2,1-7H3
InChIKey ZKHUTFBYRXFQMP-UHFFFAOYSA-N
Molecular Weight 294.435 g/mol
SMILES C(OC(C1C(=CCCC1(C)C)C)CC(=O)C)(C(C)(C)C)=O
SPLASH splash10-0a4l-9600000000-cac20452706b24bebe0e
Source of Spectrum H-75-1027-11
Wiley ID 1298375