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(E)-1-[3-(3-Bromo-4-methoxyphenyl)acryloyl]pyrrolidin-2-one
SpectraBase Compound ID JE4L5q44Si1
InChI InChI=1S/C14H14BrNO3/c1-19-12-6-4-10(9-11(12)15)5-7-14(18)16-8-2-3-13(16)17/h4-7,9H,2-3,8H2,1H3/b7-5+
InChIKey JGNOJQAGOHOMJN-FNORWQNLSA-N
Mol Weight 324.17 g/mol
Molecular Formula C14H14BrNO3
Exact Mass 323.015706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNM3nYkakKu
Name (E)-1-[3-(3-Bromo-4-methoxyphenyl)acryloyl]pyrrolidin-2-one
Appearance Off-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.015706312 u
Formula C14H14BrNO3
InChI InChI=1S/C14H14BrNO3/c1-19-12-6-4-10(9-11(12)15)5-7-14(18)16-8-2-3-13(16)17/h4-7,9H,2-3,8H2,1H3/b7-5+
InChIKey JGNOJQAGOHOMJN-FNORWQNLSA-N
Instrument Name Thermo Finnigan MAT 8500
Ionization Type EI
Literature Reference DOI 10.1002/cmdc.202300132
Molecular Weight 324.174 g/mol
Quality 147
SMILES C1(=CC(=CC=C1OC)\C=C\C(N1C(CCC1)=O)=O)Br
SPLASH splash10-01pc-2985000000-0158de05a57323bc1eeb
Source of Spectrum CMC-18-8-6b (DOI: 10.1002/cmdc.202300132)
Thin-Layer Chromatography 0.38 (ethyl acetate/n-hexane, 1:1)
Wiley ID 1910317