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2-(3-Iodo-3-methylbutyl)isoindoline-1,3-dione
SpectraBase Compound ID 2XYPg27wXYn
InChI InChI=1S/C13H14INO2/c1-13(2,14)7-8-15-11(16)9-5-3-4-6-10(9)12(15)17/h3-6H,7-8H2,1-2H3
InChIKey FCUCSJVMAWATAX-UHFFFAOYSA-N
Mol Weight 343.16 g/mol
Molecular Formula C13H14INO2
Exact Mass 343.006924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Me04lDoijE
Name 2-(3-Iodo-3-methylbutyl)isoindoline-1,3-dione
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.006923693 u
Formula C13H14INO2
InChI InChI=1S/C13H14INO2/c1-13(2,14)7-8-15-11(16)9-5-3-4-6-10(9)12(15)17/h3-6H,7-8H2,1-2H3
InChIKey FCUCSJVMAWATAX-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708197
Molecular Weight 343.164 g/mol
Quality 253
Reported Formula C13H14NO2I
SMILES C(CCN1C(C2=C(C1=O)C=CC=C2)=O)(I)(C)C
SPLASH splash10-05g0-8900000000-552e8b368df2bc96cd37
Source of Spectrum ACI-56-SM9-I-1a (DOI: 10.1002/anie.201708197)
Wiley ID 1896584