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8,9-Dibromo-2-phenylhexahydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3,6-trione
SpectraBase Compound ID IQKT1A0nkJW
InChI InChI=1S/C16H15Br2N3O3/c17-11-6-10-13(7-12(11)18)21-16(24)20(9-4-2-1-3-5-9)15(23)19(21)8-14(10)22/h1-5,10-13H,6-8H2
InChIKey FSDGTMIJEDXDEW-UHFFFAOYSA-N
Mol Weight 457.12 g/mol
Molecular Formula C16H15Br2N3O3
Exact Mass 454.948017 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID pSFauK5w1Z
Name 8,9-DIBROMO-2-PHENYLHEXAHYDRO-[1,2,4]TRIAZOLO[1,2-a]CINNOLINE-1,3,6-TRIONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H15Br2N3O3
InChI InChI=1S/C16H15Br2N3O3/c17-11-6-10-13(7-12(11)18)21-16(24)20(9-4-2-1-3-5-9)15(23)19(21)8-14(10)22/h1-5,10-13H,6-8H2
InChIKey FSDGTMIJEDXDEW-UHFFFAOYSA-N
Molecular Weight 454.9476
SMILES C1N2C(N(C(N2C2CC(C(CC2C1=O)Br)Br)=O)c1ccccc1)=O
SPLASH splash10-0690-9810200000-a5f1ace8b15dcfe70e9d
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany