Pyrovalerone

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Systematic / IUPAC Name: 1-(4-Methylphenyl)-2-(1-pyrrolidinyl)-1-pentanone

ID: Reference5692

Other Names: 1-(4-Methylphenyl)-2-(pyrrolidin-1-yl)pentan-1-one;
1-(4-Methylphenyl)-2-pyrrolidin-1-yl-pentan-1-one;
1-Pentanone, 1-(4-methylphenyl)-2-(1-pyrrolidinyl)-;
4'-Methyl-2-(1-pyrrolidinyl)valerophenone;
Centroton ; more

Formula: C16H23NO

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

Pyrovalerone 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 Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/23/2016 11:29:15 AM
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Identificators

InChI InChI=1S/C16H23NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3
InChI Key SWUVZKWCOBGPTH-UHFFFAOYSA-N
Canonical SMILES CCCC(C(=O)C1=CC=C(C=C1)C)N2CCCC2
CAS 3563493
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Other Names 1-(4-Methylphenyl)-2-(pyrrolidin-1-yl)pentan-1-one;
1-(4-Methylphenyl)-2-pyrrolidin-1-yl-pentan-1-one;
1-Pentanone, 1-(4-methylphenyl)-2-(1-pyrrolidinyl)-;
4'-Methyl-2-(1-pyrrolidinyl)valerophenone;
Centroton ;
Thymergix ;
Valerophenone

In Other Databases

Wikipedia Pyrovalerone
ChemIDPlus 003563493
ChemSpider 13733
PubChem 14373
ChEMBL CHEMBL201960