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(E)-1-[3-(3-Iodo-4,5-dimethoxyphenyl)acryloyl]pyrrolidin-2-one
SpectraBase Compound ID IfYohuS2sV5
InChI InChI=1S/C15H16INO4/c1-20-12-9-10(8-11(16)15(12)21-2)5-6-14(19)17-7-3-4-13(17)18/h5-6,8-9H,3-4,7H2,1-2H3/b6-5+
InChIKey USKBWZXXMGQDKN-AATRIKPKSA-N
Mol Weight 401.2 g/mol
Molecular Formula C15H16INO4
Exact Mass 401.012403 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3q4oLgnYTd7
Name (E)-1-[3-(3-Iodo-4,5-dimethoxyphenyl)acryloyl]pyrrolidin-2-one
Appearance Off-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.012402995 u
Formula C15H16INO4
InChI InChI=1S/C15H16INO4/c1-20-12-9-10(8-11(16)15(12)21-2)5-6-14(19)17-7-3-4-13(17)18/h5-6,8-9H,3-4,7H2,1-2H3/b6-5+
InChIKey USKBWZXXMGQDKN-AATRIKPKSA-N
Instrument Name Thermo Finnigan MAT 8500
Ionization Type EI
Literature Reference DOI 10.1002/cmdc.202300132
Molecular Weight 401.200 g/mol
Quality 171
SMILES C1(=CC(=CC(=C1OC)OC)\C=C\C(N1C(CCC1)=O)=O)I
SPLASH splash10-0ufr-4204900000-272b6d46345ab36d250e
Source of Spectrum CMC-18-8-3c (DOI: 10.1002/cmdc.202300132)
Thin-Layer Chromatography 0.43 (ethyl acetate/n-hexane, 1:1)
Wiley ID 1910313