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4-(p-Chlorobenzoyl)-5-methylthio-2,2-cyclopentamethyleneisoimidazole
SpectraBase Compound ID 3eDzgmsJ6Bp
InChI InChI=1S/C16H17ClN2OS/c1-21-15-13(14(20)11-5-7-12(17)8-6-11)18-16(19-15)9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3
InChIKey CJMXJBOEBAULBO-UHFFFAOYSA-N
Mol Weight 320.84 g/mol
Molecular Formula C16H17ClN2OS
Exact Mass 320.075012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FuizXHCJFQU
Name 4-(p-Chlorobenzoyl)-5-methylthio-2,2-cyclopentamethyleneisoimidazole
Alternate Name(s) (4-chlorophenyl)-(3-methylsulfanyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17ClN2OS
InChI InChI=1S/C16H17ClN2OS/c1-21-15-13(14(20)11-5-7-12(17)8-6-11)18-16(19-15)9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3
InChIKey CJMXJBOEBAULBO-UHFFFAOYSA-N
Molecular Weight 320.838 g/mol
SMILES C=1(C(=NC2(N1)CCCCC2)SC)C(c1ccc(cc1)Cl)=O
SPLASH splash10-007x-0901000000-7cfea6ca9c6d4a4674dc
Source of Spectrum SO-0-549-3
Wiley ID 1539414