4-Acetyl-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

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Systematic / IUPAC Name: 4-Acetyl-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylic acid

ID: Reference8599

Other Names: 1H-Pyrrole-3-carboxylicacid,4-acetyl-1-cyclopropyl-2,5-dimethyl-

Formula: C12H15NO3

Spectral Data

4-Acetyl-1-cyclopropyl-2,5-dimethyl-1H-pyrrole-3-carboxylic 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 142
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/5/2019 1:27:43 PM
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Identificators

InChI InChI=1S/C12H15NO3/c1-6-10(8(3)14)11(12(15)16)7(2)13(6)9-4-5-9/h9H,4-5H2,1-3H3,(H,15,16)
InChI Key JSEIYOKZAHNTFI-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=C(N1C2CC2)C)C(=O)O)C(=O)C
CAS 423769782
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Other Names 1H-Pyrrole-3-carboxylicacid,4-acetyl-1-cyclopropyl-2,5-dimethyl-

In Other Databases

ChemSpider 2060034
PubChem 2779812