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4-(Benzoyl)-5-methylthio-2,2-cyclopentamethyleneisoimidazole
SpectraBase Compound ID Lu7JbIJ6J4F
InChI InChI=1S/C16H18N2OS/c1-20-15-13(14(19)12-8-4-2-5-9-12)17-16(18-15)10-6-3-7-11-16/h2,4-5,8-9H,3,6-7,10-11H2,1H3
InChIKey PRQWVSYSNHKUEN-UHFFFAOYSA-N
Mol Weight 286.39 g/mol
Molecular Formula C16H18N2OS
Exact Mass 286.113984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6gnCIwzzO90
Name 4-(Benzoyl)-5-methylthio-2,2-cyclopentamethyleneisoimidazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2OS
InChI InChI=1S/C16H18N2OS/c1-20-15-13(14(19)12-8-4-2-5-9-12)17-16(18-15)10-6-3-7-11-16/h2,4-5,8-9H,3,6-7,10-11H2,1H3
InChIKey PRQWVSYSNHKUEN-UHFFFAOYSA-N
Molecular Weight 286.393 g/mol
SMILES C=1(C(=NC2(N1)CCCCC2)SC)C(=O)c1ccccc1
SPLASH splash10-0a4r-0950000000-313acfcbc0dbffef5a27
Source of Spectrum SO-0-549-3
Synonyms [3-(methylthio)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]-phenylmethanone (3-methylsulfanyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)-phenylmethanone (3-methylsulfanyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)-phenyl-methanone
Wiley ID 1539417