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3-(6-Chloro-2-oxo-2H-1,4-benzoxazin-3-yl)propanoic acid
SpectraBase Compound ID GE3vWpTYAWA
InChI InChI=1S/C11H8ClNO4/c12-6-1-3-9-8(5-6)13-7(11(16)17-9)2-4-10(14)15/h1,3,5H,2,4H2,(H,14,15)
InChIKey WCRDDKVERFEJQC-UHFFFAOYSA-N
Mol Weight 253.64 g/mol
Molecular Formula C11H8ClNO4
Exact Mass 253.014185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FaxNVG56kvr
Name 3-(6-Chloro-2-oxo-2H-1,4-benzoxazin-3-yl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8ClNO4
InChI InChI=1S/C11H8ClNO4/c12-6-1-3-9-8(5-6)13-7(11(16)17-9)2-4-10(14)15/h1,3,5H,2,4H2,(H,14,15)
InChIKey WCRDDKVERFEJQC-UHFFFAOYSA-N
Molecular Weight 253.641 g/mol
SMILES OC(CCC1=Nc2c(OC1=O)ccc(c2)Cl)=O
SPLASH splash10-001i-5910000000-5cc697c140b919f89d7d
Synonyms 3-(6-Chloranyl-2-oxidanylidene-1,4-benzoxazin-3-yl)propanoic acid 3-(6-Chloro-2-keto-1,4-benzoxazin-3-yl)propionic acid 3-(6-Chloro-2-oxo-1,4-benzoxazin-3-yl)propanoic acid
Wiley ID 1512079