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3-(1,5-Benzoxazepin-2-yl)-4-chlorocoumarin
SpectraBase Compound ID DMCkgfMPjmt
InChI InChI=1S/C18H10ClNO3/c19-17-11-5-1-3-7-13(11)23-18(21)16(17)15-9-10-20-12-6-2-4-8-14(12)22-15/h1-10H
InChIKey KDVZFEWOGMPRIM-UHFFFAOYSA-N
Mol Weight 323.74 g/mol
Molecular Formula C18H10ClNO3
Exact Mass 323.034921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2pBnWHcVbT
Name 3-(1,5-Benzoxazepin-2-yl)-4-chlorocoumarin
Appearance Yellow crystals
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Formula C18H10ClNO3
InChI InChI=1S/C18H10ClNO3/c19-17-11-5-1-3-7-13(11)23-18(21)16(17)15-9-10-20-12-6-2-4-8-14(12)22-15/h1-10H
InChIKey KDVZFEWOGMPRIM-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3811
Molecular Weight 323.735 g/mol
SMILES C1(Oc2ccccc2C(=C1C=1Oc2c(N=CC1)cccc2)Cl)=O
SPLASH splash10-03ml-9221000000-b7e672df8f4964726e19
Source of Spectrum Y-57-722-14
Wiley ID 1860027