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OABZIKJKGVFRKT-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR, and 1 MS (GC)

OABZIKJKGVFRKT-UHFFFAOYSA-N
SpectraBase Compound ID LxmYkOjNfht
InChI InChI=1S/C10H9BrN4O/c1-4-2-5-7(14-10(4)16)6(3-12)8(11)15-9(5)13/h4H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKey OABZIKJKGVFRKT-UHFFFAOYSA-N
Mol Weight 281.11 g/mol
Molecular Formula C10H9BrN4O
Exact Mass 279.995974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LKDYvAdzNZ7
Name 5-amino-7-bromo-2-keto-3-methyl-3,4-dihydro-1H-1,6-naphthyridine-8-carbonitrile
Alternate Name(s) 5-amino-7-bromo-3-methyl-2-oxo-3,4-dihydro-1H-1,6-naphthyridine-8-carbonitrile 5-azanyl-7-bromanyl-3-methyl-2-oxidanylidene-3,4-dihydro-1H-1,6-naphthyridine-8-carbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9BrN4O
InChI InChI=1S/C10H9BrN4O/c1-4-2-5-7(14-10(4)16)6(3-12)8(11)15-9(5)13/h4H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKey OABZIKJKGVFRKT-UHFFFAOYSA-N
Molecular Weight 281.113 g/mol
SMILES N1c2c(c(nc(c2C#N)Br)N)CC(C1=O)C
SPLASH splash10-0159-0090000000-12d5b23cbc2d1711bee6
Source of Spectrum H1-50-753-22
Wiley ID 816895