5-(4-Chlorobenzyl)-3-phenyl-1,6-dihydro-1,2,4-triazin-6-one

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Systematic / IUPAC Name: 5-(4-Chlorobenzyl)-3-phenyl-1,2,4-triazin-6(1H)-one

ID: Reference4160

Other Names: (5Z)-5-(4-Chlorobenzylidene)-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one

Formula: C16H12ClN3O

Spectral Data

5-(4-Chlorobenzyl)-3-phenyl-1,6-dihydro-1,2,4-triazin-6-one 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 215
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/11/2016 9:19:00 AM
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Identificators

InChI InChI=1S/C16H12ClN3O/c17-13-8-6-11(7-9-13)10-14-16(21)20-19-15(18-14)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21)
InChI Key XRFZVQYALJCILC-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)C2=NNC(=O)C(=N2)CC3=CC=C(C=C3)Cl
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Other Names (5Z)-5-(4-Chlorobenzylidene)-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one

In Other Databases

ChemSpider 2103770
PubChem 2825639