4-Propylphenol

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Systematic / IUPAC Name: 4-Propylphenol

ID: Reference13883

Other Names: AA-4680

Formula: C9H12O

Class: Endogenous Metabolites

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 105
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/23/2026 6:47:59 PM
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Identificators

InChI InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3
InChI Key KLSLBUSXWBJMEC-UHFFFAOYSA-N
Canonical SMILES CCCc1ccc(O)cc1
CAS
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Other Names AA-4680

In Other Databases

ChEMBL CHEMBL35297
PubChem 12580; 12580
ChemSpider 12060
ChEBI CHEBI:34434
HMDb HMDB0032625
KEGG C14311