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3,4-Hexanedione
SpectraBase Compound ID DCXJViJfGuE
InChI InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3
InChIKey KVFQMAZOBTXCAZ-UHFFFAOYSA-N
Mol Weight 114.14 g/mol
Molecular Formula C6H10O2
Exact Mass 114.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26eq1Jdu1ZI
Name Bipropionyl
Source of Sample SAFC Cat.no. W316814
CAS Registry Number 4437-51-8
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 114.068079560 u
Formula C6H10O2
InChI InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3
InChIKey KVFQMAZOBTXCAZ-UHFFFAOYSA-N
Molecular Weight 114.144 g/mol
Number of Peaks 42
RI1 801
RI2 455
RI3 537
RI4 488
SMILES CCC(C(CC)=O)=O
SPLASH splash10-0a4i-9100000000-4487eeea0563ccfb540f
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 3,4-Hexanedione
Wiley ID LM_FFNSC3_438