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(S)-1-Cyclohexyl-2-oxo-3-(1-phenylethylcarbamoyl)-2,3-dihydro-1H-imidazo[2,1-a]isoquinolin-4-ium-3-ide
SpectraBase Compound ID 1qwfnd9p1by
InChI InChI=1S/C26H27N3O2/c1-18(19-10-4-2-5-11-19)27-24(30)23-26(31)29(21-13-6-3-7-14-21)25-22-15-9-8-12-20(22)16-17-28(23)25/h2,4-5,8-12,15-18,21H,3,6-7,13-14H2,1H3,(H,27,30)/t18-/m0/s1
InChIKey XQJFUNJDMUXKPF-SFHVURJKSA-N
Mol Weight 413.52 g/mol
Molecular Formula C26H27N3O2
Exact Mass 413.210327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XqUdvZrbwf
Name (S)-1-Cyclohexyl-2-oxo-3-(1-phenylethylcarbamoyl)-2,3-dihydro-1H-imidazo[2,1-a]isoquinolin-4-ium-3-ide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27N3O2
InChI InChI=1S/C26H27N3O2/c1-18(19-10-4-2-5-11-19)27-24(30)23-26(31)29(21-13-6-3-7-14-21)25-22-15-9-8-12-20(22)16-17-28(23)25/h2,4-5,8-12,15-18,21H,3,6-7,13-14H2,1H3,(H,27,30)/t18-/m0/s1
InChIKey XQJFUNJDMUXKPF-SFHVURJKSA-N
Molecular Weight 413.521 g/mol
SMILES N(C([C-]1[n+]2c(N(C3CCCCC3)C1=O)c1ccccc1cc2)=O)[C@](c1ccccc1)(C)[H]
SPLASH splash10-08ir-0980200000-716858071d6cc7da2c80
Source of Spectrum U1-2009-623-7a
Wiley ID 1662553