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N-phenyl-3-thioureido-1-diazo-butan-2-one
SpectraBase Compound ID 4r7rJzMsTR2
InChI InChI=1S/C11H12N4OS/c1-2-9(16)10(15-12)14-11(17)13-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,13,14,17)
InChIKey BOPQTSRFDHEZSY-UHFFFAOYSA-N
Mol Weight 248.3 g/mol
Molecular Formula C11H12N4OS
Exact Mass 248.073182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2p6wXjWzyy
Name N-phenyl-3-thioureido-1-diazo-butan-2-one
Alternate Name(s) N-(1-diazo-2-oxobutyl)-N'-phenylthiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N4OS
InChI InChI=1S/C11H12N4OS/c1-2-9(16)10(15-12)14-11(17)13-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,13,14,17)
InChIKey BOPQTSRFDHEZSY-UHFFFAOYSA-N
Molecular Weight 248.304 g/mol
SMILES N(C(=[N+]=[N-])C(=O)CC)C(Nc1ccccc1)=S
SPLASH splash10-0006-9100000000-936e0fa823dba2cfcbeb
Source of Spectrum HC-19-389-0
Wiley ID 1250606