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2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(3-methyl-2-butenyl)-4-(1-methylethenyl)-
SpectraBase Compound ID 7DXXbrrjAjx
InChI InChI=1S/C15H18O2/c1-10(2)5-6-12-7-8-14(16)15(17)9-13(12)11(3)4/h5,7-9H,3,6H2,1-2,4H3,(H,16,17)
InChIKey JGONUWOERJCFMF-UHFFFAOYSA-N
Mol Weight 230.31 g/mol
Molecular Formula C15H18O2
Exact Mass 230.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EHjE7W7Nrj
Name Procerin
CAS Registry Number 552-96-5
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 230.130679818 u
Formula C15H18O2
InChI InChI=1S/C15H18O2/c1-10(2)5-6-12-7-8-14(16)15(17)9-13(12)11(3)4/h5,7-9H,3,6H2,1-2,4H3,(H,16,17)
InChIKey JGONUWOERJCFMF-UHFFFAOYSA-N
Molecular Weight 230.307 g/mol
Number of Peaks 50
RI1 1934
SMILES OC1=CC=C(CC=C(C)C)C(=CC1=O)C(C)=C
SPLASH splash10-000f-3900000000-fb80ecd76629f1f322f7
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 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(3-methyl-2-buten-1-yl)-4-(1-methylethenyl)-
Wiley ID LM_FFNSC3_2922