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5-Acetylamino-3-bromo-8-hydroxynaphtho[2,3-d]isoxazole-4,9-dione
SpectraBase Compound ID KUSwuS0WbH6
InChI InChI=1S/C13H7BrN2O5/c1-4(17)15-5-2-3-6(18)8-7(5)10(19)9-12(11(8)20)21-16-13(9)14/h2-3,18H,1H3,(H,15,17)
InChIKey YITNCDWUBKOQTP-UHFFFAOYSA-N
Mol Weight 351.11 g/mol
Molecular Formula C13H7BrN2O5
Exact Mass 349.953834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9JucFy9DUAQ
Name 5-Acetylamino-3-bromo-8-hydroxynaphtho[2,3-d]isoxazole-4,9-dione
Alternate Name(s) N-(3-bromo-8-hydroxy-4,9-dioxo-4,9-dihydronaphtho[2,3-d]isoxazol-5-yl)acetamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H7BrN2O5
InChI InChI=1S/C13H7BrN2O5/c1-4(17)15-5-2-3-6(18)8-7(5)10(19)9-12(11(8)20)21-16-13(9)14/h2-3,18H,1H3,(H,15,17)
InChIKey YITNCDWUBKOQTP-UHFFFAOYSA-N
Molecular Weight 351.112 g/mol
SMILES N(c1c2c(c(cc1)O)C(c1c(C2=O)c(no1)Br)=O)C(=O)C
SPLASH splash10-0006-9000000000-3eabc8124a9d9c4facd8
Source of Spectrum H1-40-422-10
Wiley ID 756862