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3-Heptyne-2,6-dione, 5-methyl-5-(1-methylethyl)-
SpectraBase Compound ID 8ybDUtqf0ko
InChI InChI=1S/C11H16O2/c1-8(2)11(5,10(4)13)7-6-9(3)12/h8H,1-5H3
InChIKey JAKRGBHMHWTIEC-UHFFFAOYSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID gMSvPDxqQE
Name 3-Heptyne-2,6-dione, 5-methyl-5-(1-methylethyl)-
CAS Registry Number 63922-44-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-8(2)11(5,10(4)13)7-6-9(3)12/h8H,1-5H3
InChIKey JAKRGBHMHWTIEC-UHFFFAOYSA-N
Molecular Weight 180.247 g/mol
SMILES CC(C(C(C)=O)(C)C#CC(=O)C)C
SPLASH splash10-0076-6900000000-c05c7e513f5ca75daed2
Source of Spectrum H-60-757-0
Synonyms 5-Isopropyl-5-methyl-3-heptyne-2,6-dione 5-isopropyl-5-methyl-hept-3-yne-2,6-dione 5-Methyl-5-propan-2-yl-3-heptyne-2,6-dione 5-Methyl-5-propan-2-yl-hept-3-yne-2,6-dione
Wiley ID 1176437