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5-Hydroxy-4-octanone
SpectraBase Compound ID 4z9HIqPHyCz
InChI InChI=1S/C8H16O2/c1-3-5-7(9)8(10)6-4-2/h7,9H,3-6H2,1-2H3
InChIKey BVEYJWQCMOVMAR-UHFFFAOYSA-N
Mol Weight 144.21 g/mol
Molecular Formula C8H16O2
Exact Mass 144.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkHnVmqgUCN
Name Butyroin
Source of Sample SAFC Cat.no. S705500
CAS Registry Number 496-77-5
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 144.115029753 u
Formula C8H16O2
InChI InChI=1S/C8H16O2/c1-3-5-7(9)8(10)6-4-2/h7,9H,3-6H2,1-2H3
InChIKey BVEYJWQCMOVMAR-UHFFFAOYSA-N
Molecular Weight 144.214 g/mol
Number of Peaks 50
RI1 1072
RI2 745
RI3 961
RI4 916
RI5 1051
SMILES OC(C(CCC)=O)CCC
SPLASH splash10-05fu-9000000000-50532c076e475c5ec3c0
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 4-Octanone, 5-hydroxy-
Wiley ID LM_FFNSC3_501