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6-[(4-Chlorophenoxy)cyanomethyl]-1,2,4-triazolo[3,4-a]phthalazine
SpectraBase Compound ID B9yVUCfEnMt
InChI InChI=1S/C17H10ClN5O/c18-11-5-7-12(8-6-11)24-15(9-19)16-13-3-1-2-4-14(13)17-21-20-10-23(17)22-16/h1-8,10,15H
InChIKey ATJPNRNDQNPQPM-UHFFFAOYSA-N
Mol Weight 335.75 g/mol
Molecular Formula C17H10ClN5O
Exact Mass 335.057388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lf167ltIoPR
Name 6-[(4-Chlorophenoxy)cyanomethyl]-1,2,4-triazolo[3,4-a]phthalazine
Alternate Name(s) 2-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(4-chlorophenoxy)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H10ClN5O
InChI InChI=1S/C17H10ClN5O/c18-11-5-7-12(8-6-11)24-15(9-19)16-13-3-1-2-4-14(13)17-21-20-10-23(17)22-16/h1-8,10,15H
InChIKey ATJPNRNDQNPQPM-UHFFFAOYSA-N
Molecular Weight 335.754 g/mol
SMILES C1(=N[n]2c(-c3c1cccc3)nnc2)C(C#N)Oc1ccc(cc1)Cl
SPLASH splash10-0f9i-2928000000-cdce0d4596c1b04198de
Source of Spectrum Y-51-1588-15
Wiley ID 1741666