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Methylbutyrate
SpectraBase Compound ID 6mr44CNbBix
InChI InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3
InChIKey UUIQMZJEGPQKFD-UHFFFAOYSA-N
Mol Weight 102.13 g/mol
Molecular Formula C5H10O2
Exact Mass 102.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ztplZPyrou
Name Butyrate
Source of Sample SAFC Cat.no. W269301
CAS Registry Number 623-42-7
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 102.068079560 u
Formula C5H10O2
InChI InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3
InChIKey UUIQMZJEGPQKFD-UHFFFAOYSA-N
Molecular Weight 102.133 g/mol
Number of Peaks 44
RI1 718
RI2 401
SMILES C(CCC)(=O)OC
SPLASH splash10-006x-9000000000-399de166f8701c97e047
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 Butanoic acid, methyl ester
Wiley ID LM_FFNSC3_654