2-{[2-(Aminocarbonyl)-5-ethoxyphenyl]thio}acetic acid

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Systematic / IUPAC Name: [(2-Carbamoyl-5-ethoxyphenyl)sulfanyl]acetic acid

ID: Reference3803

Other Names: {[2-(Aminocarbonyl)-5-ethoxyphenyl]thio}acetic acid ;
2-(2-Carbamoyl-5-ethoxyphenylthio)acetic acid

Formula: C11H13NO4S

Spectral Data

2-{[2-(Aminocarbonyl)-5-ethoxyphenyl]thio}acetic acid 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 2
No. of Spectra 233
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/11/2016 12:44:33 PM
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Identificators

InChI InChI=1S/C11H13NO4S/c1-2-16-7-3-4-8(11(12)15)9(5-7)17-6-10(13)14/h3-5H,2,6H2,1H3,(H2,12,15)(H,13,14)
InChI Key XETNLDWLMNXRIA-UHFFFAOYSA-N
Canonical SMILES CCOC1=CC(=C(C=C1)C(=O)N)SCC(=O)O
CAS 84029505
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Other Names {[2-(Aminocarbonyl)-5-ethoxyphenyl]thio}acetic acid ;
2-(2-Carbamoyl-5-ethoxyphenylthio)acetic acid

In Other Databases

PubChem 2747685
ChemIDPlus 084029505
ChemSpider 2029133