Phenol

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Systematic / IUPAC Name: Phenol

ID: Reference3052

Other Names: Benzenol;
Benzophenol;
Carbolic acid;
Fenol;
Fenosmolin ; more

Formula: C6H6O

Class: Industrial Chemicals Excipients/Additives/Colorants Therapeutics/Prescription Drugs Personal Care Products/Cosmetics Endogenous Metabolites Pesticides/Herbicides Extractables/Leachables Textile Chemicals/Auxiliary/Dyes Natural Products/Medicines

Spectral Data

Phenol 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 81
Tandem Spectra MS1, MS2
Ionization Methods APCI
Analyzers FT
Last Modification 9/28/2015 12:15:38 PM
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Identificators

InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
InChI Key ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)O
CAS 108952
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Other Names Benzenol;
Benzophenol;
Carbolic acid;
Fenol;
Fenosmolin;
Fenosmoline;
Monophenol;
Paoscle;
Phenic acid;
Phenic alcohol;
Phenole;
Phenosmolin;
Benzene, hydroxy-;
Hydroxybenzene;
Monohydroxybenzene;
Phenyl hydrate;
Phenyl hydroxide;
Phenylalcohol;
Phenylic acid

In Other Databases

HMDb HMDB00228
KEGG C00146; D00033; C15584; D01960
Wikipedia Phenol
PubChem 996
ChemIDPlus 000108952; 000139026; 002234062; 003587186; 023184716; 001529302; 000100674; 068782956; 068213796; 070775949
ChEBI CHEBI:15882
ChemSpider 971
DrugBank DB03255