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1-Benzyl-2-oxo-3-(ethylthiocarbonyl)-2,3-dihydro-1H-imidazo[2,1-a]isoquinolin-4-ium-3-ide
SpectraBase Compound ID aaRFdwomzu
InChI InChI=1S/C21H18N2O2S/c1-2-26-21(25)18-20(24)23(14-15-8-4-3-5-9-15)19-17-11-7-6-10-16(17)12-13-22(18)19/h3-13H,2,14H2,1H3
InChIKey QDIVLHICYOGJQK-UHFFFAOYSA-N
Mol Weight 362.45 g/mol
Molecular Formula C21H18N2O2S
Exact Mass 362.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ziv9WBOlde
Name 1-Benzyl-2-oxo-3-(ethylthiocarbonyl)-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 C21H18N2O2S
InChI InChI=1S/C21H18N2O2S/c1-2-26-21(25)18-20(24)23(14-15-8-4-3-5-9-15)19-17-11-7-6-10-16(17)12-13-22(18)19/h3-13H,2,14H2,1H3
InChIKey QDIVLHICYOGJQK-UHFFFAOYSA-N
Molecular Weight 362.447 g/mol
SMILES [C-]1([n+]2c(N(C1=O)Cc1ccccc1)c1ccccc1cc2)C(=O)SCC
SPLASH splash10-0f6x-6019000000-08e6184585a118ab94c5
Source of Spectrum U1-2009-623-7d
Synonyms (E)-(ethylthio)-[2-oxo-1-(phenylmethyl)-3-imidazo[2,1-a]isoquinolin-4-iumylidene]methanolate (E)-(1-benzyl-2-oxoimidazo[2,1-a]isoquinolin-4-ium-3-ylidene)-ethylsulfanylmethanolate (E)-(1-benzyl-2-oxo-imidazo[2,1-a]isoquinolin-4-ium-3-ylidene)-ethylsulfanyl-methanolate (E)-ethylsulfanyl-[2-oxidanylidene-1-(phenylmethyl)imidazo[2,1-a]isoquinolin-4-ium-3-ylidene]methanolate
Wiley ID 1662551