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2-(2-oxobut-3-yl)-2,6,6-trimethyl-3-cyclohexen-1-one
SpectraBase Compound ID 6SEOjc3SD9I
InChI InChI=1S/C13H20O2/c1-9(10(2)14)13(5)8-6-7-12(3,4)11(13)15/h6,8-9H,7H2,1-5H3
InChIKey CXBWHDNJEFRECX-UHFFFAOYSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89yoYHaMIVw
Name 2-(2-oxobut-3-yl)-2,6,6-trimethyl-3-cyclohexen-1-one
Alternate Name(s) 2,6,6-trimethyl-2-(1-methyl-2-oxopropyl)-3-cyclohexen-1-one
CAS Registry Number 99901-27-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-9(10(2)14)13(5)8-6-7-12(3,4)11(13)15/h6,8-9H,7H2,1-5H3
InChIKey CXBWHDNJEFRECX-UHFFFAOYSA-N
Molecular Weight 208.301 g/mol
SMILES C1(C(C(C)(C)CC=C1)=O)(C(C(=O)C)C)C
SPLASH splash10-000b-9600000000-0f59ddfdf7416e059e03
Source of Spectrum J-51-493-9
Wiley ID 1207254