1,5-Ditetrahydro-1H-pyrrol-1-ylpentane-1,5-dione

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Systematic / IUPAC Name: 1,5-Dipyrrolidin-1-ylpentane-1,5-dione

ID: Reference3585

Other Names: 1,5-Pentanedione, 1,5-di-1-pyrrolidinyl-

Formula: C13H22N2O2

Spectral Data

1,5-Ditetrahydro-1H-pyrrol-1-ylpentane-1,5-dione 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 Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 694
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 1/14/2016 8:02:14 AM
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Identificators

InChI InChI=1S/C13H22N2O2/c16-12(14-8-1-2-9-14)6-5-7-13(17)15-10-3-4-11-15/h1-11H2
InChI Key KBJHHEFKAJHHGN-UHFFFAOYSA-N
Canonical SMILES C1CCN(C1)C(=O)CCCC(=O)N2CCCC2
CAS
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Other Names 1,5-Pentanedione, 1,5-di-1-pyrrolidinyl-

In Other Databases

ChEMBL CHEMBL1518854
ChemSpider 2083413
PubChem 2804873