4-{2-[2-(Methoxycarbonyl)-3-thienyl]hydrazino}-3-methyl-4-oxo-2-butenoic acid

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Systematic / IUPAC Name: (2E)-4-{2-[2-(Methoxycarbonyl)-3-thienyl]hydrazino}-3-methyl-4-oxo-2-butenoic acid

ID: Reference4561

Other Names: 2-Butenedioic acid, 2-methyl-, 1-{2-[2-(methoxycarbonyl)-3-thienyl]hydrazide}, (2E)-

Formula: C11H12N2O5S

Spectral Data

4-{2-[2-(Methoxycarbonyl)-3-thienyl]hydrazino}-3-methyl-4-oxo-2-butenoic 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 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/14/2016 1:04:08 PM
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Identificators

InChI InChI=1S/C11H12N2O5S/c1-6(5-8(14)15)10(16)13-12-7-3-4-19-9(7)11(17)18-2/h3-5,12H,1-2H3,(H,13,16)(H,14,15)/b6-5+
InChI Key VDABCUHITKSXSD-AATRIKPKSA-N
Canonical SMILES CC(=CC(=O)O)C(=O)NNC1=C(SC=C1)C(=O)OC
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Other Names 2-Butenedioic acid, 2-methyl-, 1-{2-[2-(methoxycarbonyl)-3-thienyl]hydrazide}, (2E)-

In Other Databases

PubChem 5714434
ChemSpider 4651887