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IRXNEFZOFSGSIL-UHFFFAOYSA-N

View entire compound with spectra: 3 NMR, and 1 MS (GC)

IRXNEFZOFSGSIL-UHFFFAOYSA-N
SpectraBase Compound ID u4o8mddG0B
InChI InChI=1S/C11H7N3OS/c12-6-8-9(7-4-2-1-3-5-7)13-11(16)14-10(8)15/h1-5H,(H2,13,14,15,16)
InChIKey IRXNEFZOFSGSIL-UHFFFAOYSA-N
Mol Weight 229.26 g/mol
Molecular Formula C11H7N3OS
Exact Mass 229.030983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZjPS2DqV2E
Name 4-keto-6-phenyl-2-thioxo-1H-pyrimidine-5-carbonitrile
Alternate Name(s) 4-Oxidanylidene-6-phenyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile 4-Oxo-6-phenyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile 4-Oxo-6-phenyl-2-thioxo-1H-pyrimidine-5-carbonitrile
CAS Registry Number 70638-52-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7N3OS
InChI InChI=1S/C11H7N3OS/c12-6-8-9(7-4-2-1-3-5-7)13-11(16)14-10(8)15/h1-5H,(H2,13,14,15,16)
InChIKey IRXNEFZOFSGSIL-UHFFFAOYSA-N
Molecular Weight 229.257 g/mol
SMILES N1C(C(=C(NC1=S)c1ccccc1)C#N)=O
SPLASH splash10-0fb9-1590000000-3fba87e54723faf9624b
Source of Spectrum SO-1979-288-4
Wiley ID 1537252