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2-(3,3-Dimethoxypropyl)-5-isobutyl-3-methylcyclohex-2-en-1-one
SpectraBase Compound ID 72T5DVJfJhT
InChI InChI=1S/C16H28O3/c1-11(2)8-13-9-12(3)14(15(17)10-13)6-7-16(18-4)19-5/h11,13,16H,6-10H2,1-5H3
InChIKey MBGIPEMMZRUXGT-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 7uEiHvidSQG
Name 2-(3,3-Dimethoxypropyl)-5-isobutyl-3-methylcyclohex-2-en-1-one
Appearance Colorless liquid
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.203844759 u
Formula C16H28O3
GC Column ZB-1 (20 m x0.18 mm, film thickness 0.18 micrometer)
InChI InChI=1S/C16H28O3/c1-11(2)8-13-9-12(3)14(15(17)10-13)6-7-16(18-4)19-5/h11,13,16H,6-10H2,1-5H3
InChIKey MBGIPEMMZRUXGT-UHFFFAOYSA-N
Instrument Name Shimadzu QP 2010
Ionization Type EI
Literature Reference DOI 10.1002/hlca.202300040
Quality 223
SMILES COC(CCC=1C(CC(CC1C)CC(C)C)=O)OC
SPLASH splash10-004i-9130000000-bb036b1ab844d7f1738e
Source of Spectrum H-106-9-25 (DOI: 10.1002/hlca.202300040)
Wiley ID 1911472