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1-(4-bromophenyl)-4-phenyl-3-(1H-1,2,4-triazol-1-yl)-1H-pyrrol-2(5H)-one
SpectraBase Compound ID HJ443UzhySX
InChI InChI=1S/C18H13BrN4O/c19-14-6-8-15(9-7-14)22-10-16(13-4-2-1-3-5-13)17(18(22)24)23-12-20-11-21-23/h1-9,11-12H,10H2
InChIKey LMFVHGMVYLYJQW-UHFFFAOYSA-N
Mol Weight 381.23 g/mol
Molecular Formula C18H13BrN4O
Exact Mass 380.027274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HsjSBiqx2aL
Name 1-(4-bromophenyl)-4-phenyl-3-(1H-1,2,4-triazol-1-yl)-1H-pyrrol-2(5H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13BrN4O
InChI InChI=1S/C18H13BrN4O/c19-14-6-8-15(9-7-14)22-10-16(13-4-2-1-3-5-13)17(18(22)24)23-12-20-11-21-23/h1-9,11-12H,10H2
InChIKey LMFVHGMVYLYJQW-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 381.233 g/mol
SMILES C1(N(CC(=C1[n]1ncnc1)c1ccccc1)c1ccc(cc1)Br)=O
SPLASH splash10-0a4i-0920000000-cb859eaeba49acac0d48
Source of Spectrum CN106243087A
Wiley ID 1852910