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4-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzenecarbonitrile
SpectraBase Compound ID EwTecwDJAD5
InChI InChI=1S/C13H9N3O3/c1-9-13(16(17)18)12(19-15-9)7-6-10-2-4-11(8-14)5-3-10/h2-7H,1H3/b7-6+
InChIKey UQWTTYKFTNNAMO-VOTSOKGWSA-N
Mol Weight 255.23 g/mol
Molecular Formula C13H9N3O3
Exact Mass 255.064391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LnPPmX1Li5z
Name 4-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzenecarbonitrile
Alternate Name(s) 4-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzonitrile 4-[(E)-2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]benzonitrile 4-[(E)-2-(3-methyl-4-nitro-isoxazol-5-yl)vinyl]benzonitrile
CAS Registry Number 78080-54-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9N3O3
InChI InChI=1S/C13H9N3O3/c1-9-13(16(17)18)12(19-15-9)7-6-10-2-4-11(8-14)5-3-10/h2-7H,1H3/b7-6+
InChIKey UQWTTYKFTNNAMO-VOTSOKGWSA-N
Molecular Weight 255.233 g/mol
SMILES c1(N(=O)=O)c(onc1C)\C=C\c1ccc(C#N)cc1
SPLASH splash10-0a4i-0890000000-67edef164c0cf4522b5c
Source of Spectrum O-15-659-1
Wiley ID 1258721