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3-Amino-5-benzylidene-2-prop-2-ynylsulfanyl-imidazol-4-one
SpectraBase Compound ID 94U4rCdzsw5
InChI InChI=1S/C13H11N3OS/c1-2-8-18-13-15-11(12(17)16(13)14)9-10-6-4-3-5-7-10/h1,3-7,9H,8,14H2
InChIKey PRVMBBFFOGMPIM-UHFFFAOYSA-N
Mol Weight 257.31 g/mol
Molecular Formula C13H11N3OS
Exact Mass 257.062283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lvq0vAk4f2J
Name 3-Amino-5-benzylidene-2-prop-2-ynylsulfanyl-imidazol-4-one
Alternate Name(s) 3-Amino-5-benzylidene-2-(prop-2-yn-1-ylthio)-3,5-dihydro-4H-imidazol-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N3OS
InChI InChI=1S/C13H11N3OS/c1-2-8-18-13-15-11(12(17)16(13)14)9-10-6-4-3-5-7-10/h1,3-7,9H,8,14H2
InChIKey PRVMBBFFOGMPIM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20069
Molecular Weight 257.311 g/mol
SMILES NN1C(=NC(=Cc2ccccc2)C1=O)SCC#C
SPLASH splash10-07vl-0790000000-131d19175db55579ee17
Source of Spectrum HAC-16-78-5g
Wiley ID 1783490