For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-(p-bromophenyl)-4-phenyl-7,9-dimethyl-6,8-dioxo-2,3-dihydropyrimidino[5,6-b]-1,5-oxazepine
SpectraBase Compound ID 9T6mcSJKoja
InChI InChI=1S/C21H18BrN3O3/c1-23-17-12-25(16-10-8-15(22)9-11-16)13-18(14-6-4-3-5-7-14)28-19(17)20(26)24(2)21(23)27/h3-11,13H,12H2,1-2H3
InChIKey ZHCWLZBIWZWLEC-UHFFFAOYSA-N
Mol Weight 440.3 g/mol
Molecular Formula C21H18BrN3O3
Exact Mass 439.053154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2HKbWirnpzs
Name 2-(p-bromophenyl)-4-phenyl-7,9-dimethyl-6,8-dioxo-2,3-dihydropyrimidino[5,6-b]-1,5-oxazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18BrN3O3
InChI InChI=1S/C21H18BrN3O3/c1-23-17-12-25(16-10-8-15(22)9-11-16)13-18(14-6-4-3-5-7-14)28-19(17)20(26)24(2)21(23)27/h3-11,13H,12H2,1-2H3
InChIKey ZHCWLZBIWZWLEC-UHFFFAOYSA-N
Molecular Weight 440.297 g/mol
SMILES C12=C(N(C)C(N(C2=O)C)=O)CN(c2ccc(cc2)Br)C=C(O1)c1ccccc1
SPLASH splash10-0a4i-1970200000-cb7c81567c2fd3035639
Source of Spectrum HC-19-546-0
Synonyms 8-(4-bromophenyl)-1,3-dimethyl-6-phenyl-8,9-dihydropyrimido[4,5-f][1,4]oxazepine-2,4(1H,3H)-dione
Wiley ID 1384386