For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4H-1-Benzopyran-2-carboxylic acid, 8-bromo-7-hydroxy-4-oxo-, ethyl ester
SpectraBase Compound ID Jlu18sgrRJW
InChI InChI=1S/C12H9BrO5/c1-2-17-12(16)9-5-8(15)6-3-4-7(14)10(13)11(6)18-9/h3-5,14H,2H2,1H3
InChIKey AAGZBHWLTJYFFW-UHFFFAOYSA-N
Mol Weight 313.1 g/mol
Molecular Formula C12H9BrO5
Exact Mass 311.963336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8aYha93XvZ6
Name 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-7-hydroxy-4-oxo-, ethyl ester
CAS Registry Number 30113-86-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9BrO5
InChI InChI=1S/C12H9BrO5/c1-2-17-12(16)9-5-8(15)6-3-4-7(14)10(13)11(6)18-9/h3-5,14H,2H2,1H3
InChIKey AAGZBHWLTJYFFW-UHFFFAOYSA-N
Molecular Weight 313.103 g/mol
SMILES Oc1ccc2C(C=C(C(=O)OCC)Oc2c1Br)=O
SPLASH splash10-03di-2279000000-5aee2ebd8835a9143fe8
Source of Spectrum O-5-8601-0
Synonyms Ethyl 8-bromo-7-hydroxy-4-oxo-4H-chromene-2-carboxylate 8-Bromo-7-hydroxy-4-keto-chromene-2-carboxylic acid ethyl ester 8-Bromo-7-hydroxy-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester Ethyl 8-bromanyl-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Ethyl 8-bromo-7-hydroxy-4-oxo-chromene-2-carboxylate
Wiley ID 46367