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[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(8H)-one, 7-(4-bromophenyl)-3-methyl-8-[(phenylmethylene)amino]-
SpectraBase Compound ID Jrhg7fIuolk
InChI InChI=1S/C18H13BrN6O/c1-12-17(26)25-18(22-21-12)24(20-11-13-5-3-2-4-6-13)16(23-25)14-7-9-15(19)10-8-14/h2-11H,1H3/b20-11+
InChIKey PDRJPNAJQSSLJS-RGVLZGJSSA-N
Mol Weight 409.25 g/mol
Molecular Formula C18H13BrN6O
Exact Mass 408.033422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DvCqJBzhtMI
Name [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(8H)-one, 7-(4-bromophenyl)-3-methyl-8-[(phenylmethylene)amino]-
CAS Registry Number 109072-07-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13BrN6O
InChI InChI=1S/C18H13BrN6O/c1-12-17(26)25-18(22-21-12)24(20-11-13-5-3-2-4-6-13)16(23-25)14-7-9-15(19)10-8-14/h2-11H,1H3/b20-11+
InChIKey PDRJPNAJQSSLJS-RGVLZGJSSA-N
Molecular Weight 409.247 g/mol
SMILES C=12N(N=C(N2\N=C\c2ccccc2)c2ccc(cc2)Br)C(C(=NN1)C)=O
SPLASH splash10-0a4i-0019100000-7c8928599e92ad5b9848
Source of Spectrum KC-1986-2048-53
Synonyms 7-(4-bromophenyl)-3-methyl-8-{[(E)-phenylmethylidene]amino}[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(8H)-one 7-(4-Bromophenyl)-8-benzylideneamino-3-methyl[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(8H)-one
Wiley ID 1372776