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3-Amino-8,10-dibromo-9-hydroxy-chromeno[2,3-d][1,3]thiazolo[3,2-a]pyrimidine-5,6-dione
SpectraBase Compound ID 2uk3qsCacwa
InChI InChI=1S/C13H5Br2N3O4S/c14-4-1-3-8(19)6-11(22-10(3)7(15)9(4)20)17-13-18(12(6)21)5(16)2-23-13/h1-2,20H,16H2
InChIKey KXKBHQMVKJCMLC-UHFFFAOYSA-N
Mol Weight 459.07 g/mol
Molecular Formula C13H5Br2N3O4S
Exact Mass 456.836753 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43GUOTrvMib
Name 3-Amino-8,10-dibromo-9-hydroxy-chromeno[2,3-d][1,3]thiazolo[3,2-a]pyrimidine-5,6-dione
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H5Br2N3O4S
InChI InChI=1S/C13H5Br2N3O4S/c14-4-1-3-8(19)6-11(22-10(3)7(15)9(4)20)17-13-18(12(6)21)5(16)2-23-13/h1-2,20H,16H2
InChIKey KXKBHQMVKJCMLC-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4542
Molecular Weight 459.068 g/mol
Quality 495
SMILES OC=1C(=CC=2C(C=3C(N4C(=CSC4=NC3OC2C1Br)N)=O)=O)Br
SPLASH splash10-08fr-0109600000-e1b230056c9d6da7f819
Source of Spectrum Y-59-2081-9 (DOI: 10.1002/jhet.4542)
Wiley ID 1892417