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3-tert-butoxy-6-(3-ketobutyl)-6-methyl-cyclohex-2-en-1-one
SpectraBase Compound ID 2BTJNYqupBg
InChI InChI=1S/C15H24O3/c1-11(16)6-8-15(5)9-7-12(10-13(15)17)18-14(2,3)4/h10H,6-9H2,1-5H3
InChIKey CCTODQXGZJMMPQ-UHFFFAOYSA-N
Mol Weight 252.35 g/mol
Molecular Formula C15H24O3
Exact Mass 252.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K7wSOYn2AJp
Name 3-tert-butoxy-6-(3-ketobutyl)-6-methyl-cyclohex-2-en-1-one
Alternate Name(s) 3-tert-butoxy-6-methyl-6-(3-oxobutyl)cyclohex-2-en-1-one 6-methyl-3-[(2-methylpropan-2-yl)oxy]-6-(3-oxidanylidenebutyl)cyclohex-2-en-1-one 6-methyl-3-[(2-methylpropan-2-yl)oxy]-6-(3-oxobutyl)-1-cyclohex-2-enone 6-methyl-3-[(2-methylpropan-2-yl)oxy]-6-(3-oxobutyl)cyclohex-2-en-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O3
InChI InChI=1S/C15H24O3/c1-11(16)6-8-15(5)9-7-12(10-13(15)17)18-14(2,3)4/h10H,6-9H2,1-5H3
InChIKey CCTODQXGZJMMPQ-UHFFFAOYSA-N
Molecular Weight 252.354 g/mol
SMILES C=1C(C(CCC(=O)C)(C)CCC1OC(C)(C)C)=O
SPLASH splash10-001i-0900000000-deee5f177ee8debefdd6
Source of Spectrum E2-48-1174-5
Wiley ID 1555310