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7,9-Dibromo-8-hydroxy-2-thioxo-2H-chromeno[2,3-d]pyrimidine-4,5(1H,3H)-dione
SpectraBase Compound ID 673NXrU3Ovd
InChI InChI=1S/C11H4Br2N2O4S/c12-3-1-2-6(16)4-9(18)14-11(20)15-10(4)19-8(2)5(13)7(3)17/h1,17H,(H2,14,15,18,20)
InChIKey OZWURZJVWKWOCJ-UHFFFAOYSA-N
Mol Weight 420.03 g/mol
Molecular Formula C11H4Br2N2O4S
Exact Mass 417.825854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GF8ljRlIcgg
Name 7,9-Dibromo-8-hydroxy-2-thioxo-2H-chromeno[2,3-d]pyrimidine-4,5(1H,3H)-dione
Appearance Orange-yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.825853787 u
Formula C11H4Br2N2O4S
InChI InChI=1S/C11H4Br2N2O4S/c12-3-1-2-6(16)4-9(18)14-11(20)15-10(4)19-8(2)5(13)7(3)17/h1,17H,(H2,14,15,18,20)
InChIKey OZWURZJVWKWOCJ-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4542
Molecular Weight 420.031 g/mol
Quality 442
SMILES OC=1C(=CC=2C(C3=C(OC2C1Br)NC(NC3=O)=S)=O)Br
SPLASH splash10-03k9-1249400000-7f4630a96d995c397d7a
Source of Spectrum Y-59-2081-8 (DOI: 10.1002/jhet.4542)
Wiley ID 1892416