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(E)-1-[3-(3-Bromo-4-methoxyphenyl)acryloyl]piperidin-2-one
SpectraBase Compound ID 1R5AKweOTei
InChI InChI=1S/C15H16BrNO3/c1-20-13-7-5-11(10-12(13)16)6-8-15(19)17-9-3-2-4-14(17)18/h5-8,10H,2-4,9H2,1H3/b8-6+
InChIKey NFQICSLXWBCRFU-SOFGYWHQSA-N
Mol Weight 338.2 g/mol
Molecular Formula C15H16BrNO3
Exact Mass 337.031356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48GT49xwsk5
Name (E)-1-[3-(3-Bromo-4-methoxyphenyl)acryloyl]piperidin-2-one
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.031356376 u
Formula C15H16BrNO3
InChI InChI=1S/C15H16BrNO3/c1-20-13-7-5-11(10-12(13)16)6-8-15(19)17-9-3-2-4-14(17)18/h5-8,10H,2-4,9H2,1H3/b8-6+
InChIKey NFQICSLXWBCRFU-SOFGYWHQSA-N
Instrument Name Thermo Finnigan MAT 8500
Ionization Type EI
Literature Reference DOI 10.1002/cmdc.202300132
Molecular Weight 338.201 g/mol
Quality 214
SMILES C1(=CC(=CC=C1OC)\C=C\C(N1C(CCCC1)=O)=O)Br
SPLASH splash10-03dr-3897000000-48f77530cc42f1bd5654
Source of Spectrum CMC-18-9-7b (DOI: 10.1002/cmdc.202300132)
Thin-Layer Chromatography 0.46 (ethyl acetate/n-hexane, 1:1)
Wiley ID 1910321