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4-(4-hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde
SpectraBase Compound ID 7nfLbuW8zkP
InChI InChI=1S/C13H22O2/c1-13(2,15)9-3-4-11-5-7-12(10-14)8-6-11/h5,10,12,15H,3-4,6-9H2,1-2H3
InChIKey ORMHZBNNECIKOH-UHFFFAOYSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21uvoiY1tKY
Name Lyral
CAS Registry Number 31906-04-4
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 210.161979946 u
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-13(2,15)9-3-4-11-5-7-12(10-14)8-6-11/h5,10,12,15H,3-4,6-9H2,1-2H3
InChIKey ORMHZBNNECIKOH-UHFFFAOYSA-N
Molecular Weight 210.317 g/mol
Number of Peaks 50
RI1 1671
RI2 1348
SMILES OC(CCCC1=CCC(CC1)C=O)(C)C
SPLASH splash10-052f-9300000000-b8e55f1164dba4463891
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 3-Cyclohexene-1-carboxaldehyde, 4-(4-hydroxy-4-methylpentyl)-
Wiley ID LM_FFNSC3_963