| SpectraBase Spectrum ID |
AkVu2qqWe1i |
| Name |
5-Isopropyl-5-cyano-3-phenyl-2-thiohidantoin |
| Comments |
Less than 3 mono-isotopic peaks |
| 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 |
splash10-001i-0090000000-c5f5b9e45005f9ff4ad6 |
| Source of Spectrum |
CRT-15-574-9/b |
| Synonyms |
Val-PTH-.alpha.-CN |
| Wiley ID |
1709949 |
