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4-Pentenamide, N-[2-[3-(1-methyl-1H-imidazol-5-yl)-3-oxopropyl]phenyl]-
SpectraBase Compound ID 6L4yC8xiTVF
InChI InChI=1S/C18H21N3O2/c1-3-4-9-18(23)20-15-8-6-5-7-14(15)10-11-17(22)16-12-19-13-21(16)2/h3,5-8,12-13H,1,4,9-11H2,2H3,(H,20,23)
InChIKey RGPCUJWJBQYZMR-UHFFFAOYSA-N
Mol Weight 311.38 g/mol
Molecular Formula C18H21N3O2
Exact Mass 311.163377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1xlOIU4Dm4
Name 4-Pentenamide, N-[2-[3-(1-methyl-1H-imidazol-5-yl)-3-oxopropyl]phenyl]-
CAS Registry Number 42881-94-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21N3O2
InChI InChI=1S/C18H21N3O2/c1-3-4-9-18(23)20-15-8-6-5-7-14(15)10-11-17(22)16-12-19-13-21(16)2/h3,5-8,12-13H,1,4,9-11H2,2H3,(H,20,23)
InChIKey RGPCUJWJBQYZMR-UHFFFAOYSA-N
Molecular Weight 311.385 g/mol
SMILES N(c1c(CCC(c2[n](cnc2)C)=O)cccc1)C(=O)CCC=C
SPLASH splash10-0a59-5891000000-5e4b9defae7e2fa1a53f
Source of Spectrum F-32-1094-0
Synonyms 1-Methyl-5-(.beta.-(0-(4-pentenoamido)phenyl)propionyl)imidazole N-{2-[3-(1-methyl-1H-imidazol-5-yl)-3-oxopropyl]phenyl}-4-pentenamide
Wiley ID 1312522