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Acalea, cis-
SpectraBase Compound ID 4FqFMCbWM0G
InChI InChI=1S/C15H20O/c1-3-4-5-6-15(12-16)11-14-9-7-13(2)8-10-14/h7-12H,3-6H2,1-2H3/b15-11-
InChIKey VHBOIZSCWFNPBM-PTNGSMBKSA-N
Mol Weight 216.32 g/mol
Molecular Formula C15H20O
Exact Mass 216.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkjPP7lhmCL
Name Acalea, cis-
Source of Sample Standard L'Oreal
CAS Registry Number 84697-09-6
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 216.151415263 u
Formula C15H20O
InChI InChI=1S/C15H20O/c1-3-4-5-6-15(12-16)11-14-9-7-13(2)8-10-14/h7-12H,3-6H2,1-2H3/b15-11-
InChIKey VHBOIZSCWFNPBM-PTNGSMBKSA-N
Molecular Weight 216.324 g/mol
Number of Peaks 50
RI1 1782
RI2 1460
SMILES Cc1ccc(cc1)\C=C/(C=O)CCCCC
SPLASH splash10-0kwf-4910000000-2d0e2437e86abd96dc59
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 Heptanal, 2-[(4-methylphenyl)methylene]-, (2Z)
Wiley ID LM_FFNSC3_3078