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Methyl 2-hexyl-3-oxocyclopentanecarboxylate <cis->
SpectraBase Compound ID FL0bpKrkp9W
InChI InChI=1S/C13H22O3/c1-3-4-5-6-7-10-11(13(15)16-2)8-9-12(10)14/h10-11H,3-9H2,1-2H3
InChIKey IPWBXORAIBJDDQ-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1k2hLMEyn94
Name Methyl 2-hexyl-3-oxocyclopentanecarboxylate
CAS Registry Number 37172-53-5
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 226.156894565 u
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-3-4-5-6-7-10-11(13(15)16-2)8-9-12(10)14/h10-11H,3-9H2,1-2H3
InChIKey IPWBXORAIBJDDQ-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
Number of Peaks 50
RI1 1662
RI2 1340
RI3 2075
RI4 2037
RI5 1626
SMILES C(CCCCC)C1C(CCC1=O)C(=O)OC
SPLASH splash10-001i-9200000000-65bbb391d314abfc76b1
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 Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, methyl ester
Wiley ID LM_FFNSC3_3316