2-(1-{2-[3-(Methylthio)anilino]-2-oxoethyl}cyclopentyl)acetic acid

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Systematic / IUPAC Name: [1-(2-{[3-(Methylsulfanyl)phenyl]amino}-2-oxoethyl)cyclopentyl]acetic acid

ID: Reference4858

Other Names: Cyclopentaneacetic acid, 1-(2-{[3-(methylthio)phenyl]amino}-2-oxoethyl)-

Formula: C16H21NO3S

Spectral Data

2-(1-{2-[3-(Methylthio)anilino]-2-oxoethyl}cyclopentyl)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 5/13/2016 12:28:37 PM
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Identificators

InChI InChI=1S/C16H21NO3S/c1-21-13-6-4-5-12(9-13)17-14(18)10-16(11-15(19)20)7-2-3-8-16/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,17,18)(H,19,20)
InChI Key NZGQMQPXRZLALG-UHFFFAOYSA-N
Canonical SMILES CSC1=CC=CC(=C1)NC(=O)CC2(CCCC2)CC(=O)O
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Other Names Cyclopentaneacetic acid, 1-(2-{[3-(methylthio)phenyl]amino}-2-oxoethyl)-

In Other Databases

PubChem 2826326
ChemSpider 2104439