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(E)-1-[3-(3-Chloro-4,5-dimethoxyphenyl)acryloyl]pyrrolidin-2-one
SpectraBase Compound ID KdKchgXfZ82
InChI InChI=1S/C15H16ClNO4/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 CHADALPPQHWNRB-AATRIKPKSA-N
Mol Weight 309.75 g/mol
Molecular Formula C15H16ClNO4
Exact Mass 309.076786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B91MZoHH25S
Name (E)-1-[3-(3-Chloro-4,5-dimethoxyphenyl)acryloyl]pyrrolidin-2-one
Appearance Off-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.076785695 u
Formula C15H16ClNO4
InChI InChI=1S/C15H16ClNO4/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 CHADALPPQHWNRB-AATRIKPKSA-N
Instrument Name Thermo Finnigan MAT 8500
Ionization Type EI
Literature Reference DOI 10.1002/cmdc.202300132
Molecular Weight 309.749 g/mol
SMILES C1(=CC(=CC(=C1OC)OC)\C=C\C(N1C(CCC1)=O)=O)Cl
SPLASH splash10-056r-0279000000-d585c9008aa279059709
Source of Spectrum CMC-18-7-3a (DOI: 10.1002/cmdc.202300132)
Thin-Layer Chromatography 0.58 (ethyl acetate/n-hexane, 1:1)
Wiley ID 1910311