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Butanoic acid, 2-methyl-, 2-methylpropyl ester
SpectraBase Compound ID AJqqLvd1udA
InChI InChI=1S/C9H18O2/c1-5-8(4)9(10)11-6-7(2)3/h7-8H,5-6H2,1-4H3
InChIKey NWZQCEQAPBRMFX-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4XYqd42N6z
Name Butyrate
CAS Registry Number 2445-67-2
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 158.130679818 u
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-5-8(4)9(10)11-6-7(2)3/h7-8H,5-6H2,1-4H3
InChIKey NWZQCEQAPBRMFX-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
Number of Peaks 46
RI1 1002
RI2 672
SMILES C(=O)(OCC(C)C)C(CC)C
SPLASH splash10-0a4i-9100000000-14b11e9ce566d553038c
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, 2-methyl-, 2-methylpropyl ester
Wiley ID LM_FFNSC3_1850