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7-Amino-3-(3-bromopropoxy)-4-chloro-2-benzopyran-1-one
SpectraBase Compound ID AQfcm3X0QA
InChI InChI=1S/C12H11BrClNO3/c13-4-1-5-17-12-10(14)8-3-2-7(15)6-9(8)11(16)18-12/h2-3,6H,1,4-5,15H2
InChIKey FXUBMQXLZFGMFG-UHFFFAOYSA-N
Mol Weight 332.58 g/mol
Molecular Formula C12H11BrClNO3
Exact Mass 330.961084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Qr51isrILz
Name 7-Amino-3-(3-bromopropoxy)-4-chloro-2-benzopyran-1-one
CAS Registry Number 113251-20-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11BrClNO3
InChI InChI=1S/C12H11BrClNO3/c13-4-1-5-17-12-10(14)8-3-2-7(15)6-9(8)11(16)18-12/h2-3,6H,1,4-5,15H2
InChIKey FXUBMQXLZFGMFG-UHFFFAOYSA-N
Molecular Weight 332.581 g/mol
SMILES Nc1ccc2C(=C(OC(=O)c2c1)OCCCBr)Cl
SPLASH splash10-03di-1792000000-c72c919e88aca1885e0b
Source of Spectrum GT-1992-65-0
Synonyms 7-Amino-3-(3-bromopropoxy)-4-chloro-isochromen-1-one 7-Amino-3-(3-bromopropoxy)-4-chloro-isocoumarin 7-Azanyl-3-(3-bromanylpropoxy)-4-chloranyl-isochromen-1-one
Wiley ID 1328476