Methyl salicylate

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Systematic / IUPAC Name: Methyl 2-hydroxybenzoate

ID: Reference7289

Other Names: Betula oil;
Birch oil;
Exagien;
Flucarmit;
Gaultheria oil ; more

Formula: C8H8O3

Class: Extractables/Leachables

Spectral Data

Methyl salicylate 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 Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 168
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 3/28/2018 9:49:58 AM
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Identificators

InChI InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
InChI Key OSWPMRLSEDHDFF-UHFFFAOYSA-N
Canonical SMILES COC(=O)C1=CC=CC=C1O
CAS 119368
Splash
Other Names Betula oil;
Birch oil;
Exagien;
Flucarmit;
Gaultheria oil;
Gaultheriaoel;
Panalgesic;
Spicewood oil;
Sweet birch oil;
Teaberry oil;
Theragesic;
O-Hydroxybenzoic acid, methyl ester;
1-O-Methylsalicylate;
2-(Methoxycarbonyl)phenol;
2-Carbomethoxyphenol;
2-Hydroxybenzoic acid methyl ester;
2-Hydroxybenzoic acid, methyl ester;
Benzoic acid, 2-hydroxy, methyl ester;
Benzoic acid, hydroxy, methyl ester;
Methyl O-hydroxybenzoate;
Methyl ester 2-hydroxy-benzoic acid;
Methyl ester of 2-hydroxy-benzoic acid;
Methyl-2-hydroxybenzoate;
Salicylate methyl ester;
Salicylic acid, methyl ester

In Other Databases

Wikipedia Methyl salicylate
ChEBI CHEBI:31832
HMDb HMDB34172
KEGG D01087; C12305
ChEMBL CHEMBL108545
PubChem 4133
ChemSpider 13848808