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(E)-3-Methyl-3-(3-phenylprop-2-enoyl)-.episilon.-caprolactam
SpectraBase Compound ID Kre8iU54hok
InChI InChI=1S/C16H19NO2/c1-16(12-6-5-9-15(19)17-16)14(18)11-10-13-7-3-2-4-8-13/h2-4,7-8,10-11H,5-6,9,12H2,1H3,(H,17,19)/b11-10+
InChIKey HCCNDUNLCVTXCL-ZHACJKMWSA-N
Mol Weight 257.33 g/mol
Molecular Formula C16H19NO2
Exact Mass 257.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Noin9yKUuY
Name (E)-3-Methyl-3-(3-phenylprop-2-enoyl)-.episilon.-caprolactam
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.141578854 u
Formula C16H19NO2
InChI InChI=1S/C16H19NO2/c1-16(12-6-5-9-15(19)17-16)14(18)11-10-13-7-3-2-4-8-13/h2-4,7-8,10-11H,5-6,9,12H2,1H3,(H,17,19)/b11-10+
InChIKey HCCNDUNLCVTXCL-ZHACJKMWSA-N
Instrument Name VG Analytical 7070
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.726
Molecular Weight 257.333 g/mol
Quality 43
SMILES N1C(CCCCC1=O)(C(\C=C\C1=CC=CC=C1)=O)C
SPLASH splash10-004i-0900000000-271ee0cd568d4aa9aa22
Source of Spectrum ARK-2003-324-21 (DOI: 10.3998/ark.5550190.0004.726)
Wiley ID 1901076