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N-Carbamoyl-N'-p-methylbenzoyl-S-methylisothiourea
SpectraBase Compound ID 3h5zDQhbiyk
InChI InChI=1S/C11H13N3O2S/c1-7-3-5-8(6-4-7)9(15)13-11(17-2)14-10(12)16/h3-6H,1-2H3,(H3,12,13,14,15,16)
InChIKey JFQKVALRCWCRLK-UHFFFAOYSA-N
Mol Weight 251.3 g/mol
Molecular Formula C11H13N3O2S
Exact Mass 251.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJw6AzGIzLM
Name N-Carbamoyl-N'-p-methylbenzoyl-S-methylisothiourea
Alternate Name(s) Methyl N'-[(Z)-amino(oxo)methyl]-N-(4-methylbenzoyl)imidothiocarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N3O2S
InChI InChI=1S/C11H13N3O2S/c1-7-3-5-8(6-4-7)9(15)13-11(17-2)14-10(12)16/h3-6H,1-2H3,(H3,12,13,14,15,16)
InChIKey JFQKVALRCWCRLK-UHFFFAOYSA-N
Molecular Weight 251.304 g/mol
SMILES N(\C(=N\C(=O)N)SC)C(c1ccc(cc1)C)=O
SPLASH splash10-014i-2920000000-bf1d5b4cd618e0b7e9d4
Source of Spectrum H1-43-843-3
Wiley ID 758070