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3-(4-Chlorophenyl)-4-iodo-1H-[1,3]oxazino[3,4-a]indol-1-one
SpectraBase Compound ID JSKWJcFJFCB
InChI InChI=1S/C17H9ClINO2/c18-12-7-5-10(6-8-12)16-15(19)14-9-11-3-1-2-4-13(11)20(14)17(21)22-16/h1-9H
InChIKey MYNSVRMIUBFTAN-UHFFFAOYSA-N
Mol Weight 421.62 g/mol
Molecular Formula C17H9ClINO2
Exact Mass 420.936651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qSLW3slk6C
Name 3-(4-Chlorophenyl)-4-iodo-1H-[1,3]oxazino[3,4-a]indol-1-one
Appearance Light brown solid
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Exact Mass 420.936651232 u
Formula C17H9ClINO2
InChI InChI=1S/C17H9ClINO2/c18-12-7-5-10(6-8-12)16-15(19)14-9-11-3-1-2-4-13(11)20(14)17(21)22-16/h1-9H
InChIKey MYNSVRMIUBFTAN-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202202847
Molecular Weight 421.621 g/mol
Quality 106
Reported Formula C17H9ClINO2
SMILES C1(Cl)=CC=C(C=C1)C1=C(C=2N(C3=C(C2)C=CC=C3)C(O1)=O)I
SPLASH splash10-0fe0-0950500000-f99e5c760366dd9d6f10
Source of Spectrum QE-29-SM26-3d (DOI: 10.1002/chem.202202847)
Wiley ID 1909518