3-tert-Butylphenol

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Systematic / IUPAC Name: 3-(2-Methyl-2-propanyl)phenol

ID: Reference1456

Other Names: m-tert-Butylphenol;
Phenol, 3-(1,1-dimethylethyl)-;
Phenol, m-tert-butyl-

Formula: C10H14O

Class: Industrial Chemicals

Spectral Data

3-tert-Butylphenol 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 71
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/3/2014 12:35:06 PM
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Identificators

InChI InChI=1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3
InChI Key CYEKUDPFXBLGHH-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)C1=CC(=CC=C1)O
CAS 585342
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Other Names m-tert-Butylphenol;
Phenol, 3-(1,1-dimethylethyl)-;
Phenol, m-tert-butyl-

In Other Databases

PubChem 11450
ChemIDPlus 000585342
ChEMBL CHEMBL224899
ChemSpider 10966
KEGG C14188