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Floral super, trans-
SpectraBase Compound ID DmqYkql2aPK
InChI InChI=1S/C12H20O/c1-4-11(2)7-5-8-12(3)9-6-10-13/h4,8,10-11H,1,5-7,9H2,2-3H3/b12-8+
InChIKey QVEOSYKPYFNQAZ-XYOKQWHBSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7nOw2Z6S0I
Name Floral super, trans-
Source of Sample Standard L'Oreal
CAS Registry Number 77016-39-8
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 180.151415263 u
Formula C12H20O
InChI InChI=1S/C12H20O/c1-4-11(2)7-5-8-12(3)9-6-10-13/h4,8,10-11H,1,5-7,9H2,2-3H3/b12-8+
InChIKey QVEOSYKPYFNQAZ-XYOKQWHBSA-N
Molecular Weight 180.291 g/mol
Number of Peaks 50
RI1 1328
RI2 1005
SMILES C\C(CCC=O)=C/CCC(C=C)C
SPLASH splash10-05nf-9000000000-04ce1c713326c1d78fda
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 4,9-Decadienal, 4,8-dimethyl-, (4E)-
Wiley ID LM_FFNSC3_3067