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3-nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile
SpectraBase Compound ID Fr6HQrS8PtV
InChI InChI=1S/C14H7N5O3/c15-8-9-5-6-12(13(7-9)19(21)22)18-14(20)10-3-1-2-4-11(10)16-17-18/h1-7H
InChIKey DOWAVNWYZRCAGS-UHFFFAOYSA-N
Mol Weight 293.24 g/mol
Molecular Formula C14H7N5O3
Exact Mass 293.054889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDxoLLKmlwK
Name 3-Nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile
CAS Registry Number 309735-20-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H7N5O3
InChI InChI=1S/C14H7N5O3/c15-8-9-5-6-12(13(7-9)19(21)22)18-14(20)10-3-1-2-4-11(10)16-17-18/h1-7H
InChIKey DOWAVNWYZRCAGS-UHFFFAOYSA-N
Molecular Weight 293.242 g/mol
SMILES c1ccc2C(N(N=Nc2c1)c1c(N(=O)=O)cc(C#N)cc1)=O
SPLASH splash10-02ou-9810000000-0674b1c9be5f38312df7
Source of Spectrum AD-0-2532-0
Synonyms 3-Nitro-4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)benzenecarbonitrile 3-Nitro-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzonitrile 4-(4-keto-1,2,3-benzotriazin-3-yl)-3-nitro-benzonitrile Benzonitrile,3-nitro-4-(4-oxo-4H-1,2,3-benzotriazin-3-yl)-
Wiley ID 1433376