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5-METHYL-3-[PARA-(5'-(4-BROMOPHENYL)-4',5'-DIHYDRO-DELTA(2)-ISOXAZOL-3'-YL)-PHENYL]-3H-2-OXO-DELTA(4)-1,3,4-OXADIAZOLE
SpectraBase Compound ID 7d2lS6Q77Ox
InChI InChI=1S/C18H14BrN3O3/c1-11-20-22(18(23)24-11)15-8-4-12(5-9-15)16-10-17(25-21-16)13-2-6-14(19)7-3-13/h2-9,17H,10H2,1H3
InChIKey OOOIOFLROXRNBC-UHFFFAOYSA-N
Mol Weight 400.23 g/mol
Molecular Formula C18H14BrN3O3
Exact Mass 399.021854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JhakMUlX1jR
Name 5-Methyl-3-[p-(5'-acryl-4',5'-dihydro->delta(2).-isoxazol-3'-yl)-phenyl]-3H-2-oxo-.delta(4).-1,3,4-oxadiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14BrN3O3
InChI InChI=1S/C18H14BrN3O3/c1-11-20-22(18(23)24-11)15-8-4-12(5-9-15)16-10-17(25-21-16)13-2-6-14(19)7-3-13/h2-9,17H,10H2,1H3
InChIKey OOOIOFLROXRNBC-UHFFFAOYSA-N
Molecular Weight 400.232 g/mol
SMILES C1(N(N=C(O1)C)c1ccc(C2=NOC(C2)c2ccc(cc2)Br)cc1)=O
SPLASH splash10-00di-0195200000-67807f3885605d7765a8
Source of Spectrum AJ-43-348-6
Synonyms 3-[4-[5-(4-bromophenyl)-4,5-dihydroisoxazol-3-yl]phenyl]-5-methyl-1,3,4-oxadiazol-2-one 3-[4-[5-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-5-methyl-1,3,4-oxadiazol-2-one
Wiley ID 1593904