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3,8-bis(bromanyl)-5-oxidanidyl-benzo[c][1,2]benzodiazepin-5-ium-11-one
SpectraBase Compound ID B79Pl4XeYCa
InChI InChI=1S/C13H6Br2N2O2/c14-7-1-3-9-11(5-7)16-17(19)12-6-8(15)2-4-10(12)13(9)18/h1-6H
InChIKey JOMHQKZTMMZFLJ-UHFFFAOYSA-N
Mol Weight 382.01 g/mol
Molecular Formula C13H6Br2N2O2
Exact Mass 379.879603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7JifA5qbOr9
Name 3,8-bis(bromanyl)-5-oxidanidyl-benzo[c][1,2]benzodiazepin-5-ium-11-one
CAS Registry Number 23469-66-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H6Br2N2O2
InChI InChI=1S/C13H6Br2N2O2/c14-7-1-3-9-11(5-7)16-17(19)12-6-8(15)2-4-10(12)13(9)18/h1-6H
InChIKey JOMHQKZTMMZFLJ-UHFFFAOYSA-N
Molecular Weight 382.011 g/mol
SMILES c12N=[N+](c3c(C(c2ccc(c1)Br)=O)ccc(c3)Br)[O-]
SPLASH splash10-0ue9-4629000000-9ecd7c3df4f722a2c2d1
Source of Spectrum B-29-874-0
Synonyms 3,8-Dibromo-5-oxido-11-benzo[c][1,2]benzodiazepin-5-iumone 3,8-Dibromo-5-oxido-benzo[c][1,2]benzodiazepin-5-ium-11-one
Wiley ID 1359450