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4-(p-Methylbenzoyl)-5-methylthio-2,2-cyclopentamethyleneisoimidazole
SpectraBase Compound ID 6ZZZcZfW2ym
InChI InChI=1S/C17H20N2OS/c1-12-6-8-13(9-7-12)15(20)14-16(21-2)19-17(18-14)10-4-3-5-11-17/h6-9H,3-5,10-11H2,1-2H3
InChIKey PIDQMZUDAWNGCN-UHFFFAOYSA-N
Mol Weight 300.42 g/mol
Molecular Formula C17H20N2OS
Exact Mass 300.129634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7M9cuPw5aaQ
Name 4-(p-Methylbenzoyl)-5-methylthio-2,2-cyclopentamethyleneisoimidazole
Alternate Name(s) (4-methylphenyl)-[3-(methylthio)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]methanone (3-methylsulfanyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)-(p-tolyl)methanone (4-methylphenyl)-(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 C17H20N2OS
InChI InChI=1S/C17H20N2OS/c1-12-6-8-13(9-7-12)15(20)14-16(21-2)19-17(18-14)10-4-3-5-11-17/h6-9H,3-5,10-11H2,1-2H3
InChIKey PIDQMZUDAWNGCN-UHFFFAOYSA-N
Molecular Weight 300.420 g/mol
SMILES C=1(C(=NC2(N1)CCCCC2)SC)C(c1ccc(cc1)C)=O
SPLASH splash10-0gb9-0914000000-2a460eee894f80acfa06
Source of Spectrum SO-0-549-3
Wiley ID 1539416