3-(5-Hydroxy-3-phenyl-1H-pyrazol-1-yl)propanenitrile

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Systematic / IUPAC Name: 3-(5-Hydroxy-3-phenyl-1H-pyrazol-1-yl)propanenitrile

ID: Reference8704

Other Names: 1H-Pyrazole-1-propanenitrile, 5-hydroxy-3-phenyl-;
3-(5-Hydroxy-3-phenyl-pyrazol-1-yl)-propionitrile

Formula: C12H11N3O

Spectral Data

3-(5-Hydroxy-3-phenyl-1H-pyrazol-1-yl)propanenitrile 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 220
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/8/2019 11:16:31 AM
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Identificators

InChI InChI=1S/C12H11N3O/c13-7-4-8-15-12(16)9-11(14-15)10-5-2-1-3-6-10/h1-3,5-6,9,16H,4,8H2
InChI Key MKLARMJYBRGTLY-UHFFFAOYSA-N
Canonical SMILES c1ccc(cc1)c2cc(n(n2)CCC#N)O
CAS
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Other Names 1H-Pyrazole-1-propanenitrile, 5-hydroxy-3-phenyl-;
3-(5-Hydroxy-3-phenyl-pyrazol-1-yl)-propionitrile

In Other Databases

PubChem 2054802
ChemSpider 17733057