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(E)-1-[3-(3,5-Diiodo-4-methoxyphenyl)acryloyl]pyrrolidin-2-one
SpectraBase Compound ID FRWgX7l1VtC
InChI InChI=1S/C14H13I2NO3/c1-20-14-10(15)7-9(8-11(14)16)4-5-13(19)17-6-2-3-12(17)18/h4-5,7-8H,2-3,6H2,1H3/b5-4+
InChIKey ILNRGIZKVGMPMZ-SNAWJCMRSA-N
Mol Weight 497.07 g/mol
Molecular Formula C14H13I2NO3
Exact Mass 496.898483 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AuaIiPt7HcO
Name (E)-1-[3-(3,5-Diiodo-4-methoxyphenyl)acryloyl]pyrrolidin-2-one
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.898483280 u
Formula C14H13I2NO3
InChI InChI=1S/C14H13I2NO3/c1-20-14-10(15)7-9(8-11(14)16)4-5-13(19)17-6-2-3-12(17)18/h4-5,7-8H,2-3,6H2,1H3/b5-4+
InChIKey ILNRGIZKVGMPMZ-SNAWJCMRSA-N
Instrument Name Thermo Finnigan MAT 8500
Ionization Type EI
Literature Reference DOI 10.1002/cmdc.202300132
Molecular Weight 497.071 g/mol
Quality 10
SMILES C1(=CC(=CC(=C1OC)I)\C=C\C(N1C(CCC1)=O)=O)I
SPLASH splash10-000f-0960000000-0985032aa6c978778ec1
Source of Spectrum CMC-18-9-6d (DOI: 10.1002/cmdc.202300132)
Thin-Layer Chromatography 0.45 (ethyl acetate/n-hexane, 1:2)
Wiley ID 1910319