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Tert-Butyl 2-{1-[1-benzyl-5-oxo-3-(2-propynyl)-2-thioxo-4-imidazolidinyl]propylidene}-1-hydrazinecarboxylate
SpectraBase Compound ID syHgZwPJON
InChI InChI=1S/C21H26N4O3S/c1-6-13-24-17(16(7-2)22-23-19(27)28-21(3,4)5)18(26)25(20(24)29)14-15-11-9-8-10-12-15/h1,8-12,17H,7,13-14H2,2-5H3,(H,23,27)/b22-16+
InChIKey WEQBTZFKSSNBJT-CJLVFECKSA-N
Mol Weight 414.52 g/mol
Molecular Formula C21H26N4O3S
Exact Mass 414.172562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2fVxXrV3Oe
Name Tert-Butyl 2-{1-[1-benzyl-5-oxo-3-(2-propynyl)-2-thioxo-4-imidazolidinyl]propylidene}-1-hydrazinecarboxylate
Alternate Name(s) (E)-tert-butyl 2-(1-(1-benzyl-5-oxo-3-(prop-2-yn-1-yl)-2-thioxoimidazolidin-4-yl)propylidene)hydrazinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N4O3S
InChI InChI=1S/C21H26N4O3S/c1-6-13-24-17(16(7-2)22-23-19(27)28-21(3,4)5)18(26)25(20(24)29)14-15-11-9-8-10-12-15/h1,8-12,17H,7,13-14H2,2-5H3,(H,23,27)/b22-16+
InChIKey WEQBTZFKSSNBJT-CJLVFECKSA-N
Literature Reference DOI 10.1039/c4ob00676c
Molecular Weight 414.524 g/mol
SMILES N(C(OC(C)(C)C)=O)\N=C\(C1N(CC#C)C(=S)N(C1=O)Cc1ccccc1)CC
SPLASH splash10-0ik9-0394000000-277aceb3b11cc549677a
Source of Spectrum F5-12-4614-4ae
Wiley ID 1747551