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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 9DXz6J5eQma
Name Lyral
CAS Registry Number 31906-04-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
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
SMILES OC(C)(C)CCCC=1CCC(C=O)CC1
SPLASH splash10-0006-9300000000-b861d5b3a77b40d5347c
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887597