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2-tert-Butyl-3-Iodomethyl-3-phenylisoindolin-1-one
SpectraBase Compound ID 9kgdFQWSpWQ
InChI InChI=1S/C19H20INO/c1-18(2,3)21-17(22)15-11-7-8-12-16(15)19(21,13-20)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
InChIKey QSKFLEQBLMBRPU-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 GGRCWNCn93O
Name 2-tert-Butyl-3-Iodomethyl-3-phenylisoindolin-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20INO
InChI InChI=1S/C19H20INO/c1-18(2,3)21-17(22)15-11-7-8-12-16(15)19(21,13-20)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
InChIKey QSKFLEQBLMBRPU-UHFFFAOYSA-N
Molecular Weight 405.279 g/mol
SMILES C1(N(C(c2ccccc12)(c1ccccc1)CI)C(C)(C)C)=O
SPLASH splash10-0006-0009000000-7d35ddf6ed726c721d4b
Source of Spectrum F4-0-2495-3
Synonyms 2-tert-butyl-3-(iodomethyl)-3-phenyl-1-isoindolinone
Wiley ID 1620236