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2- and 4-Acetoxy-2,5,5-trimethyl-3-hexanone
SpectraBase Compound ID 5b4Mbtd1uJZ
InChI InChI=1S/C11H20O3/c1-7(2)9(13)10(11(4,5)6)14-8(3)12/h7,10H,1-6H3
InChIKey YZAVCYTZBAASLF-UHFFFAOYSA-N
Mol Weight 200.28 g/mol
Molecular Formula C11H20O3
Exact Mass 200.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TcpAGBlyqi
Name 2- and 4-Acetoxy-2,5,5-trimethyl-3-hexanone
Alternate Name(s) 1-tert-Butyl-3-methyl-2-oxobutyl acetate
CAS Registry Number 21503-00-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O3
InChI InChI=1S/C11H20O3/c1-7(2)9(13)10(11(4,5)6)14-8(3)12/h7,10H,1-6H3
InChIKey YZAVCYTZBAASLF-UHFFFAOYSA-N
Molecular Weight 200.278 g/mol
SMILES C(C(=O)C(C)C)(OC(=O)C)C(C)(C)C
SPLASH splash10-0a4l-9300000000-6f54deb5458d0078b43d
Source of Spectrum J-44-1273-0
Wiley ID 1197699