Liral

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Systematic / IUPAC Name: 4-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde

ID: Reference13890

Other Names: Lyral;
AA-4711

Formula: C13H22O2

Class: Endogenous Metabolites

Spectral Data

Liral mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 269
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 4/30/2026 8:16:39 AM
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Identificators

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
InChI Key ORMHZBNNECIKOH-UHFFFAOYSA-N
Canonical SMILES CC(C)(O)CCCC1=CCC(C=O)CC1
CAS
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Other Names Lyral;
AA-4711

In Other Databases

PubChem 91604; 91604
ChemSpider 82714
Wikipedia Hydroxymethylpentylcyclohexenecarboxaldehyde
ChEMBL CHEMBL3182066