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Nectaryl isomer III
SpectraBase Compound ID 7Yg00Rn1HCR
InChI InChI=1S/C15H24O/c1-11-6-8-13(9-7-11)12(2)10-14-4-3-5-15(14)16/h6,12-14H,3-5,7-10H2,1-2H3
InChIKey KNHGOYVXAHUDHP-UHFFFAOYSA-N
Mol Weight 220.36 g/mol
Molecular Formula C15H24O
Exact Mass 220.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIVh4qlb80y
Name Nectaryl isomer III
CAS Registry Number 95962-14-4
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 220.182715392 u
Formula C15H24O
InChI InChI=1S/C15H24O/c1-11-6-8-13(9-7-11)12(2)10-14-4-3-5-15(14)16/h6,12-14H,3-5,7-10H2,1-2H3
InChIKey KNHGOYVXAHUDHP-UHFFFAOYSA-N
Molecular Weight 220.356 g/mol
Number of Peaks 50
RI1 1798
RI2 1477
RI3 1712
RI4 1675
RI5 1770
SMILES CC1=CCC(CC1)C(CC1C(CCC1)=O)C
SPLASH splash10-05us-9500000000-4f1b031a5edcc1fdb133
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 Cyclopentanone, 2-[2-(4-methyl-3-cyclohexen-1-yl)propyl]
Wiley ID LM_FFNSC3_3199