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2-Aminomethyleneamino-4-(4-bromophenyl)-6-methoxy-4H-benzo[h]chromene-3-carbonitrile
SpectraBase Compound ID BRDQm9IbUVl
InChI InChI=1S/C22H16BrN3O2/c1-27-19-10-17-20(13-6-8-14(23)9-7-13)18(11-24)22(26-12-25)28-21(17)16-5-3-2-4-15(16)19/h2-10,12,20H,1H3,(H2,25,26)
InChIKey JDYKFDVXJZUISH-UHFFFAOYSA-N
Mol Weight 434.29 g/mol
Molecular Formula C22H16BrN3O2
Exact Mass 433.04259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvWjwWv34MR
Name 2-Aminomethyleneamino-4-(4-bromophenyl)-6-methoxy-4H-benzo[h]chromene-3-carbonitrile
Appearance Colorless needles
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Formula C22H16BrN3O2
InChI InChI=1S/C22H16BrN3O2/c1-27-19-10-17-20(13-6-8-14(23)9-7-13)18(11-24)22(26-12-25)28-21(17)16-5-3-2-4-15(16)19/h2-10,12,20H,1H3,(H2,25,26)
InChIKey JDYKFDVXJZUISH-UHFFFAOYSA-N
Instrument Name Shimadzu GC/MS-QP5050A
Ionization Type EI
Literature Reference DOI 10.1016/j.jscs.2016.03.002
Molecular Weight 434.293 g/mol
SMILES NC=NC1=C(C(c2c(c3c(cccc3)c(c2)OC)O1)c1ccc(cc1)Br)C#N
SPLASH splash10-004i-9000000000-9b80204fe6afbb2eaf15
Source of Spectrum SCS-21-84-12
Wiley ID 1857608