Dimethyl 3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate

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Systematic / IUPAC Name: Dimethyl 3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate

ID: Reference4229

Other Names: 2,5-Dimethyl 3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate;
Dimethyl 3,4-dihydroxypyrrole-2,5-dicarboxylate;
Methyl 3,4-dihydroxy-5-(methoxycarbonyl)pyrrole-2-carboxylate

Formula: C8H9NO6

Spectral Data

Dimethyl 3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate 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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/16/2016 9:21:47 AM
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Identificators

InChI InChI=1S/C8H9NO6/c1-14-7(12)3-5(10)6(11)4(9-3)8(13)15-2/h9-11H,1-2H3
InChI Key QCPBGHYMHYWRHG-UHFFFAOYSA-N
Canonical SMILES COC(=O)C1=C(C(=C(N1)C(=O)OC)O)O
CAS 1632195
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Other Names 2,5-Dimethyl 3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate;
Dimethyl 3,4-dihydroxypyrrole-2,5-dicarboxylate;
Methyl 3,4-dihydroxy-5-(methoxycarbonyl)pyrrole-2-carboxylate

In Other Databases

ChemSpider 17922531
PubChem 2727733