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2- and 4-(Trimethylacetoxy)-2,6,6-trimethyl-3-heptanone

View entire compound with spectra: 1 MS (GC)

2- and 4-(Trimethylacetoxy)-2,6,6-trimethyl-3-heptanone
SpectraBase Compound ID HzEN3KCCsr1
InChI InChI=1S/C15H28O3/c1-13(2,3)10-9-11(16)15(7,8)18-12(17)14(4,5)6/h9-10H2,1-8H3
InChIKey WEPBMIMQPNOORB-UHFFFAOYSA-N
Mol Weight 256.39 g/mol
Molecular Formula C15H28O3
Exact Mass 256.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8TGlwyRarq
Name 2- and 4-(Trimethylacetoxy)-2,6,6-trimethyl-3-heptanone
Alternate Name(s) 1,1,5,5-tetramethyl-2-oxohexyl pivalate
CAS Registry Number 69204-92-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H28O3
InChI InChI=1S/C15H28O3/c1-13(2,3)10-9-11(16)15(7,8)18-12(17)14(4,5)6/h9-10H2,1-8H3
InChIKey WEPBMIMQPNOORB-UHFFFAOYSA-N
Molecular Weight 256.386 g/mol
SMILES C(OC(C(=O)CCC(C)(C)C)(C)C)(C(C)(C)C)=O
SPLASH splash10-0a4r-9200000000-9f0651c12043a423c280
Source of Spectrum J-44-1273-0
Wiley ID 1259963