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6-amino-4-oxo-4H-1-benzopyran-2-carboxylic acid, sodium salt, hemihydrate
SpectraBase Compound ID 9OZlvImJM2p
InChI InChI=1S/2C10H7NO4.2Na.H2O/c2*11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14;;;/h2*1-4H,11H2,(H,13,14);;;1H2/q;;2*+1;/p-2
InChIKey KYDONKXNUXBQEW-UHFFFAOYSA-L
Mol Weight 236.158 g/mol
Molecular Formula C10H6NNaO4·½H2O
Exact Mass 236.024734 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8vYqzvU23aj
Name 6-AMINO-4-OXO-4H-1-BENZOPYRAN-2-CARBOXYLIC ACID, SODIUM SALT, HEMIHYDRATE
Source of Sample B. V. Cheney, the Upjohn Company, Kalamazoo, Michigan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14N2Na2O9
InChI InChI=1S/2C10H7NO4.2Na.H2O/c2*11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14;;;/h2*1-4H,11H2,(H,13,14);;;1H2/q;;2*+1;/p-2
InChIKey KYDONKXNUXBQEW-UHFFFAOYSA-L
Literature Reference J. MED. CHEM. 21, 936(1978) Abstract-Chemical Abstracts= 89, 122918(1978)
Molecular Weight 472.316986
Synonyms BENZOPYRAN-2-CARBOXYLIC ACID, 4H-1-, 6-AMINO-4-OXO-, SODIUM SALT, HEMIHYDRATE
Technique KBr WAFER