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2-butyl-3-(iodanylmethyl)-3-phenyl-isoindol-1-one
SpectraBase Compound ID DTAFV9IdcCe
InChI InChI=1S/C19H20INO/c1-2-3-13-21-18(22)16-11-7-8-12-17(16)19(21,14-20)15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
InChIKey SSJFZRRMVLCVTM-UHFFFAOYSA-N
Mol Weight 405.28 g/mol
Molecular Formula C19H20INO
Exact Mass 405.058959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BS6JxQxbwp
Name 2-butyl-3-(iodanylmethyl)-3-phenyl-isoindol-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C19H20INO
InChI InChI=1S/C19H20INO/c1-2-3-13-21-18(22)16-11-7-8-12-17(16)19(21,14-20)15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
InChIKey SSJFZRRMVLCVTM-UHFFFAOYSA-N
Molecular Weight 405.279 g/mol
SMILES C1(N(C(c2ccccc12)(c1ccccc1)CI)CCCC)=O
SPLASH splash10-0a4i-0090500000-82f68c49339528b927b3
Source of Spectrum F4-0-2495-3
Synonyms 2-butyl-3-(iodomethyl)-3-phenyl-1-isoindolone 2-butyl-3-(iodomethyl)-3-phenylisoindol-1-one
Wiley ID 1620237