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n-Octyl butyrate
SpectraBase Compound ID Ag2AktEIEoL
InChI InChI=1S/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3
InChIKey PWLNAUNEAKQYLH-UHFFFAOYSA-N
Mol Weight 200.32 g/mol
Molecular Formula C12H24O2
Exact Mass 200.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOlwE6Hv4An
Name Butyrate
Source of Sample SAFC Cat.no. W280704
CAS Registry Number 110-39-4
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 200.177630011 u
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3
InChIKey PWLNAUNEAKQYLH-UHFFFAOYSA-N
Molecular Weight 200.322 g/mol
Number of Peaks 50
RI1 1391
RI2 1070
SMILES C(CCC)CCCCOC(CCC)=O
SPLASH splash10-05gu-9000000000-220ad063b524ced9033e
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, octyl ester
Wiley ID LM_FFNSC3_910