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4-Pyridazinecarbonitrile, 3-(phenylethynyl)-
SpectraBase Compound ID 5TdyKZLTinY
InChI InChI=1S/C13H7N3/c14-10-12-8-9-15-16-13(12)7-6-11-4-2-1-3-5-11/h1-5,8-9H
InChIKey LXRXDZVCFYEJLE-UHFFFAOYSA-N
Mol Weight 205.22 g/mol
Molecular Formula C13H7N3
Exact Mass 205.063997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HStrVVwfJF0
Name 4-Pyridazinecarbonitrile, 3-(phenylethynyl)-
Alternate Name(s) 3-(2-Phenylethinyl)-4-pyridazinecarbonitrile 3-(Phenylethynyl)-4-pyridazinecarbonitrile
CAS Registry Number 118510-10-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H7N3
InChI InChI=1S/C13H7N3/c14-10-12-8-9-15-16-13(12)7-6-11-4-2-1-3-5-11/h1-5,8-9H
InChIKey LXRXDZVCFYEJLE-UHFFFAOYSA-N
Molecular Weight 205.220 g/mol
SMILES C(#Cc1ccccc1)c1c(C#N)ccnn1
SPLASH splash10-0kdi-0940000000-64100abb9067d2672831
Source of Spectrum AH-119-757-15
Wiley ID 1203522