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Butanoic acid, 2-methyl-4-methylhexyl ester
SpectraBase Compound ID GtmZSIMfuE4
InChI InChI=1S/C12H24O2/c1-5-10(3)8-7-9-14-12(13)11(4)6-2/h10-11H,5-9H2,1-4H3
InChIKey JIRUNGNWQRCSRR-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 GVLvBRKKb73
Name Butanoic acid, 2-methyl-4-methylhexyl ester
CAS Registry Number 850309-46-5
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 200.177630011 u
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-5-10(3)8-7-9-14-12(13)11(4)6-2/h10-11H,5-9H2,1-4H3
InChIKey JIRUNGNWQRCSRR-UHFFFAOYSA-N
Molecular Weight 200.322 g/mol
Number of Peaks 42
RI1 1307
SMILES C(C(CC)C)(OCCCC(CC)C)=O
SPLASH splash10-0a4l-9100000000-b79ed64d947ae8ea1e4c
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, 4-methylhexenyl ester
Wiley ID LM_FFNSC3_2532