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Cyclohexyl isovalerate
SpectraBase Compound ID BS1ciPEmnCR
InChI InChI=1S/C11H20O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKey SQPOKBBCNZIWFI-UHFFFAOYSA-N
Mol Weight 184.28 g/mol
Molecular Formula C11H20O2
Exact Mass 184.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6iwlL7KX28X
Name Isovalerate
Source of Sample SAFC Cat.no. W235504
CAS Registry Number 7774-44-9
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 184.146329882 u
Formula C11H20O2
InChI InChI=1S/C11H20O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKey SQPOKBBCNZIWFI-UHFFFAOYSA-N
Molecular Weight 184.279 g/mol
Number of Peaks 50
RI1 1279
RI2 957
RI3 462
RI4 423
RI5 1261
SMILES C(CC(C)C)(=O)OC1CCCCC1
SPLASH splash10-0pwl-9200000000-a77b7d6f961335563101
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, 3-methyl-, cyclohexyl ester
Wiley ID LM_FFNSC3_166