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1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethyl)-
SpectraBase Compound ID IwEbPS7uYbG
InChI InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7-8,10H,4-6H2,1-2H3
InChIKey AEVLWICMAHGAMS-UHFFFAOYSA-N
Mol Weight 152.24 g/mol
Molecular Formula C10H16O
Exact Mass 152.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2bsglVHr0k
Name Phellandral
Source of Sample SAFC Cat.no. W283606
CAS Registry Number 21391-98-0
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 152.120115134 u
Formula C10H16O
InChI InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7-8,10H,4-6H2,1-2H3
InChIKey AEVLWICMAHGAMS-UHFFFAOYSA-N
Molecular Weight 152.237 g/mol
Number of Peaks 50
RI1 1277
RI2 955
SMILES C1(=CCC(CC1)C(C)C)C=O
SPLASH splash10-0a59-9200000000-cfb13bbe3d13eab61b4a
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 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethyl)-
Wiley ID LM_FFNSC3_1104