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3-p-Tolylbenzo[c]isoxazole-5,6-dicarbonitrile
SpectraBase Compound ID D3scUItD4IR
InChI InChI=1S/C16H9N3O/c1-10-2-4-11(5-3-10)16-14-6-12(8-17)13(9-18)7-15(14)19-20-16/h2-7H,1H3
InChIKey MSFHYWQEFOCISD-UHFFFAOYSA-N
Mol Weight 259.27 g/mol
Molecular Formula C16H9N3O
Exact Mass 259.074562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnfehE0y9na
Name 3-p-Tolylbenzo[c]isoxazole-5,6-dicarbonitrile
Alternate Name(s) 3-(p-tolyl)benzo[c]isoxazole-5,6-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9N3O
InChI InChI=1S/C16H9N3O/c1-10-2-4-11(5-3-10)16-14-6-12(8-17)13(9-18)7-15(14)19-20-16/h2-7H,1H3
InChIKey MSFHYWQEFOCISD-UHFFFAOYSA-N
Molecular Weight 259.268 g/mol
SMILES c12c(onc2cc(c(c1)C#N)C#N)-c1ccc(cc1)C
SPLASH splash10-0536-6190000000-284ef80886b9f4ba38f5
Source of Spectrum HC-48-432-6a
Wiley ID 1739230