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3-(1-n-Butylindol-2-yl)-5,7-dichloro-2,1-benzisoxazole
SpectraBase Compound ID Gx8pEJ38rH8
InChI InChI=1S/C19H16Cl2N2O/c1-2-3-8-23-16-7-5-4-6-12(16)9-17(23)19-14-10-13(20)11-15(21)18(14)22-24-19/h4-7,9-11H,2-3,8H2,1H3
InChIKey LOOBIDHFPCORFF-UHFFFAOYSA-N
Mol Weight 359.26 g/mol
Molecular Formula C19H16Cl2N2O
Exact Mass 358.063969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3WhAzQZ0vge
Name 3-(1-n-Butylindol-2-yl)-5,7-dichloro-2,1-benzisoxazole
Appearance Yellow solid
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Formula C19H16Cl2N2O
InChI InChI=1S/C19H16Cl2N2O/c1-2-3-8-23-16-7-5-4-6-12(16)9-17(23)19-14-10-13(20)11-15(21)18(14)22-24-19/h4-7,9-11H,2-3,8H2,1H3
InChIKey LOOBIDHFPCORFF-UHFFFAOYSA-N
Instrument Name AutoSpec Premier
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.14
Molecular Weight 359.256 g/mol
Reported Formula C19H16N2OCl2
SMILES c1(c2c(cc(c1)Cl)c(on2)-c1cc2c([n]1CCCC)cccc2)Cl
SPLASH splash10-0uxr-0009000000-83d800a7e6cf63a91e00
Source of Spectrum BJO-14-SM20-10
Wiley ID 1843506