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Isoxazole, 5-[2-(3-bromophenyl)ethenyl]-3-methyl-4-nitro-
SpectraBase Compound ID KGaaO9lgi4L
InChI InChI=1S/C12H9BrN2O3/c1-8-12(15(16)17)11(18-14-8)6-5-9-3-2-4-10(13)7-9/h2-7H,1H3/b6-5+
InChIKey GPWKZKZEYPTXBN-AATRIKPKSA-N
Mol Weight 309.12 g/mol
Molecular Formula C12H9BrN2O3
Exact Mass 307.979655 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JMMjC7677AJ
Name Isoxazole, 5-[2-(3-bromophenyl)ethenyl]-3-methyl-4-nitro-
CAS Registry Number 78080-55-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9BrN2O3
InChI InChI=1S/C12H9BrN2O3/c1-8-12(15(16)17)11(18-14-8)6-5-9-3-2-4-10(13)7-9/h2-7H,1H3/b6-5+
InChIKey GPWKZKZEYPTXBN-AATRIKPKSA-N
Molecular Weight 309.119 g/mol
SMILES c1(N(=O)=O)c(onc1C)\C=C\c1cc(Br)ccc1
SPLASH splash10-0bu0-0519000000-9053975ce5e5552f45d4
Source of Spectrum O-15-659-1
Synonyms 3-Methyl-4-nitro-5-(3-bromostyryl)-isoxazole 5-[(E)-2-(3-bromophenyl)ethenyl]-3-methyl-4-nitroisoxazole
Wiley ID 1309350