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5-Isopropyl-5-cyano-3-phenyl-2-thiohidantoin

View entire compound with spectra: 2 MS (GC)

5-Isopropyl-5-cyano-3-phenyl-2-thiohidantoin
SpectraBase Compound ID 3wC4GCaneNX
InChI InChI=1S/C13H13N3OS/c1-9(2)13(8-14)11(17)16(12(18)15-13)10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H,15,18)
InChIKey MELCJIBYWMBXSJ-UHFFFAOYSA-N
Mol Weight 259.33 g/mol
Molecular Formula C13H13N3OS
Exact Mass 259.077933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AtMkLHEjh3
Name 5-Isopropyl-5-cyano-3-phenyl-2-thiohidantoin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3OS
InChI InChI=1S/C13H13N3OS/c1-9(2)13(8-14)11(17)16(12(18)15-13)10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H,15,18)
InChIKey MELCJIBYWMBXSJ-UHFFFAOYSA-N
Molecular Weight 259.327 g/mol
SMILES N1C(C(N(C1=S)c1ccccc1)=O)(C#N)C(C)C
SPLASH splash10-066r-0190000000-32c19d642d03d2373840
Source of Spectrum CRT-15-574-9/a
Synonyms Val-PTH-.alpha.-CN
Wiley ID 1709950