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1-(3-ketobutyl)-3-(4-nitrophenyl)thiourea
SpectraBase Compound ID LJVW2xROVfL
InChI InChI=1S/C11H13N3O3S/c1-8(15)6-7-12-11(18)13-9-2-4-10(5-3-9)14(16)17/h2-5H,6-7H2,1H3,(H2,12,13,18)
InChIKey KQLQCXAKOAKJQO-UHFFFAOYSA-N
Mol Weight 267.3 g/mol
Molecular Formula C11H13N3O3S
Exact Mass 267.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGfZRxLYden
Name 1-(3-ketobutyl)-3-(4-nitrophenyl)thiourea
Alternate Name(s) 1-(4-nitrophenyl)-3-(3-oxidanylidenebutyl)thiourea 1-(4-nitrophenyl)-3-(3-oxobutyl)thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N3O3S
InChI InChI=1S/C11H13N3O3S/c1-8(15)6-7-12-11(18)13-9-2-4-10(5-3-9)14(16)17/h2-5H,6-7H2,1H3,(H2,12,13,18)
InChIKey KQLQCXAKOAKJQO-UHFFFAOYSA-N
Molecular Weight 267.303 g/mol
SMILES N(C(=S)NCCC(=O)C)c1ccc(N(=O)=O)cc1
SPLASH splash10-014r-0390000000-aa2bd53dced4bcd5f492
Source of Spectrum SO-0-880-3
Wiley ID 876642