4-Oxo-4-(2-thienyl)-butanoic acid

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Systematic / IUPAC Name: 4-Oxo-4-thiophen-2-ylbutanoic acid

ID: Reference2617

Other Names: 3-(2-Thenoyl)propanoic acid;
4-(Thien-2-yl)-4-oxobutanoic acid;
4-(Thien-2-yl)-4-oxobutyric acid;
4-Oxo-4-(2-thienyl)butanoic acid;
4-Oxo-4-(2-thienyl)butyric acid ; more

Formula: C8H8O3S

Spectral Data

4-Oxo-4-(2-thienyl)-butanoic 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 3
No. of Spectra 357
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 4/22/2015 1:48:16 PM
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Identificators

InChI InChI=1S/C8H8O3S/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11)
InChI Key ULJMYWHLMLRYSO-UHFFFAOYSA-N
Canonical SMILES C1=CSC(=C1)C(=O)CCC(=O)O
CAS 4653081
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Other Names 3-(2-Thenoyl)propanoic acid;
4-(Thien-2-yl)-4-oxobutanoic acid;
4-(Thien-2-yl)-4-oxobutyric acid;
4-Oxo-4-(2-thienyl)butanoic acid;
4-Oxo-4-(2-thienyl)butyric acid;
4-Oxo-4-(thien-2-yl)butanoic acid;
4-Oxo-4-(thien-2-yl)butyric acid;
4-Oxo-4-(thiophen-2-yl)butanoic acid;
4-Oxo-4-thien-2-ylbutanoic acid;
4-Oxo-4-thiophen-2-yl-butyric acid;
3-(α-Thenoyl)propionic acid;
3-(2-Thenoyl)-propionic acid;
4-(2-Thiophenyl)-4-oxobutanoic acid;
4-Oxo-4-(2-thiophenyl)butanoic acid

In Other Databases

ChemIDPlus 004653081
ChEBI CHEBI:64434
ChemSpider 70754
PubChem 78385