2-[(2-Phenoxyethyl)thio]acetic acid

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Systematic / IUPAC Name: [(2-Phenoxyethyl)sulfanyl]acetic acid

ID: Reference7049

Other Names: 2-(2-Phenoxyethylsulfanyl)acetic acid;
2-(2-Phenoxyethylthio)acetic acid

Formula: C10H12O3S

Spectral Data

2-[(2-Phenoxyethyl)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 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/21/2017 1:03:39 PM
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Identificators

InChI InChI=1S/C10H12O3S/c11-10(12)8-14-7-6-13-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)
InChI Key SHWKIHWUFNTMIB-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)OCCSCC(=O)O
CAS
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Other Names 2-(2-Phenoxyethylsulfanyl)acetic acid;
2-(2-Phenoxyethylthio)acetic acid

In Other Databases

PubChem 2779087
ChemSpider 2059323