Methyl p-tert-butylphenylacetate

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Systematic / IUPAC Name: Methyl 2-(4-tert-butylphenyl)acetate

ID: Reference13981

Other Names: AA4594

Formula: C13H18O2

Class: Endogenous Metabolites

Spectral Data

Methyl p-tert-butylphenylacetate 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 620
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/8/2026 8:58:45 AM
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Identificators

InChI InChI=1S/C13H18O2/c1-13(2,3)11-7-5-10(6-8-11)9-12(14)15-4/h5-8H,9H2,1-4H3
InChI Key HXVTYMWVMVKVTF-UHFFFAOYSA-N
Canonical SMILES COC(=O)Cc1ccc(C(C)(C)C)cc1
CAS
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Other Names AA4594

In Other Databases

PubChem 605629
ChemSpider 526437
HMDb HMDB0036240