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2-[4-(3-bromo-phenyl)-3H-benzo[b][1,4]diazepin-2-yl]-5-methyl-phenol
SpectraBase Compound ID EOR5x7Uqwvk
InChI InChI=1S/C22H17BrN2O/c1-14-9-10-17(22(26)11-14)21-13-20(15-5-4-6-16(23)12-15)24-18-7-2-3-8-19(18)25-21/h2-12,26H,13H2,1H3
InChIKey DBRKPSDVLJGKCK-UHFFFAOYSA-N
Mol Weight 405.3 g/mol
Molecular Formula C22H17BrN2O
Exact Mass 404.052426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yDV1I7W7q1
Name 2-[4-(3-bromo-phenyl)-3H-benzo[b][1,4]diazepin-2-yl]-5-methyl-phenol
Alternate Name(s) 2-[4-(3-bromophenyl)-3H-1,5-benzodiazepin-2-yl]-5-methylphenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17BrN2O
InChI InChI=1S/C22H17BrN2O/c1-14-9-10-17(22(26)11-14)21-13-20(15-5-4-6-16(23)12-15)24-18-7-2-3-8-19(18)25-21/h2-12,26H,13H2,1H3
InChIKey DBRKPSDVLJGKCK-UHFFFAOYSA-N
Molecular Weight 405.295 g/mol
SMILES Oc1c(C2=Nc3c(cccc3)N=C(C2)c2cc(Br)ccc2)ccc(C)c1
SPLASH splash10-0zfs-4961400000-36c6eb9036a9d664f340
Wiley ID 1455109