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4H-1-Benzopyran-2-carboxylic acid, 6,8-dibromo-7-hydroxy-4-oxo-, ethyl ester
SpectraBase Compound ID IO39CnNoKt4
InChI InChI=1S/C12H8Br2O5/c1-2-18-12(17)8-4-7(15)5-3-6(13)10(16)9(14)11(5)19-8/h3-4,16H,2H2,1H3
InChIKey HTHCZJPSBMDIHP-UHFFFAOYSA-N
Mol Weight 392.0 g/mol
Molecular Formula C12H8Br2O5
Exact Mass 389.873849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13ONSPZeZYP
Name 4H-1-Benzopyran-2-carboxylic acid, 6,8-dibromo-7-hydroxy-4-oxo-, ethyl ester
CAS Registry Number 30113-88-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8Br2O5
InChI InChI=1S/C12H8Br2O5/c1-2-18-12(17)8-4-7(15)5-3-6(13)10(16)9(14)11(5)19-8/h3-4,16H,2H2,1H3
InChIKey HTHCZJPSBMDIHP-UHFFFAOYSA-N
Molecular Weight 391.999 g/mol
SMILES Oc1c(cc2C(C=C(C(=O)OCC)Oc2c1Br)=O)Br
SPLASH splash10-0006-0019000000-e3950584aa48ab41bf22
Source of Spectrum O-5-8601-1
Synonyms Ethyl 6,8-dibromo-7-hydroxy-4-oxo-4H-chromene-2-carboxylate 6,8-Dibromo-7-hydroxy-4-keto-chromene-2-carboxylic acid ethyl ester 6,8-Dibromo-7-hydroxy-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester Ethyl 6,8-bis(bromanyl)-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Ethyl 6,8-dibromo-7-hydroxy-4-oxo-chromene-2-carboxylate
Wiley ID 56204