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Thiourea, N-(4-acetylphenyl)-N'-(5-methyl-4-isoxazolyl)-
SpectraBase Compound ID 8ndxSR3kS56
InChI InChI=1S/C13H13N3O2S/c1-8(17)10-3-5-11(6-4-10)15-13(19)16-12-7-14-18-9(12)2/h3-7H,1-2H3,(H2,15,16,19)
InChIKey UVBGKIUBSGBTRX-UHFFFAOYSA-N
Mol Weight 275.33 g/mol
Molecular Formula C13H13N3O2S
Exact Mass 275.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLiBrMxrBkC
Name Thiourea, N-(4-acetylphenyl)-N'-(5-methyl-4-isoxazolyl)-
CAS Registry Number 122686-13-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O2S
InChI InChI=1S/C13H13N3O2S/c1-8(17)10-3-5-11(6-4-10)15-13(19)16-12-7-14-18-9(12)2/h3-7H,1-2H3,(H2,15,16,19)
InChIKey UVBGKIUBSGBTRX-UHFFFAOYSA-N
Molecular Weight 275.326 g/mol
SMILES N(C(Nc1ccc(C(=O)C)cc1)=S)c1c(onc1)C
SPLASH splash10-0006-9610000000-76323653c8c1d5c4dcf2
Source of Spectrum H-72-564-3
Synonyms N-(4-acetylphenyl)-N'(5-methylisoxazol-4-yl)thiourea N-(4-acetylphenyl)-N'-(5-methyl-4-isoxazolyl)thiourea
Wiley ID 1278953