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2-Pentyl-2-cyclohexen-1-one
SpectraBase Compound ID 6FwA2llJIj2
InChI InChI=1S/C11H18O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h8H,2-7,9H2,1H3
InChIKey UDFUFXGJDJZSJD-UHFFFAOYSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jwEHUDDuVs
Name 2-Pentyl-2-cyclohexenone
Source of Sample Standard L'Oreal
CAS Registry Number 25435-63-6
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 166.135765199 u
Formula C11H18O
InChI InChI=1S/C11H18O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h8H,2-7,9H2,1H3
InChIKey UDFUFXGJDJZSJD-UHFFFAOYSA-N
Molecular Weight 166.264 g/mol
Number of Peaks 50
RI1 1393
RI2 1072
RI3 1249
RI4 1206
SMILES C(CCCC)C=1C(CCCC1)=O
SPLASH splash10-0002-9200000000-ea61ee687147ccf5617b
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 2-Cyclohexen-1-one, 2-pentyl-
Wiley ID LM_FFNSC3_3036