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4-Benzoyl-5-ethylthio-2,2-cyclopentamethyleneisoimidazole
SpectraBase Compound ID 6fs4bg7m5O9
InChI InChI=1S/C17H20N2OS/c1-2-21-16-14(15(20)13-9-5-3-6-10-13)18-17(19-16)11-7-4-8-12-17/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3
InChIKey SSUCRQLJESYQGS-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 LwxDBN7scXR
Name 4-Benzoyl-5-ethylthio-2,2-cyclopentamethyleneisoimidazole
Alternate Name(s) [3-(ethylthio)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]-phenylmethanone (3-ethylsulfanyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)-phenylmethanone (3-ethylsulfanyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)-phenyl-methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N2OS
InChI InChI=1S/C17H20N2OS/c1-2-21-16-14(15(20)13-9-5-3-6-10-13)18-17(19-16)11-7-4-8-12-17/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3
InChIKey SSUCRQLJESYQGS-UHFFFAOYSA-N
Molecular Weight 300.420 g/mol
SMILES C=1(C(=NC2(N1)CCCCC2)SCC)C(=O)c1ccccc1
SPLASH splash10-0a4i-0901000000-6fcbfee8bb609d10c2be
Source of Spectrum SO-0-549-3
Wiley ID 1539413