| SpectraBase Spectrum ID |
I0UxhEEYeo7 |
| Name |
(7R,7aS)-5-Amino-7-(4-chlorophenyl)-7a-isobutyl-1-oxo-3-thioxo-2,3,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-6-carbonitrile |
| Appearance |
White powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H17ClN4OS |
| InChI |
InChI=1S/C17H17ClN4OS/c1-9(2)7-17-13(10-3-5-11(18)6-4-10)12(8-19)14(20)22(17)16(24)21-15(17)23/h3-6,9,13H,7,20H2,1-2H3,(H,21,23,24)/t13-,17+/m1/s1 |
| InChIKey |
ZJUYKGHKMXUYIW-DYVFJYSZSA-N |
| Instrument Name |
Finnigan-MAT-8430 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.3762 |
| Molecular Weight |
360.863 g/mol |
| SMILES |
NC1=C([C@]([C@@]2(N1C(NC2=O)=S)CC(C)C)(c1ccc(cc1)Cl)[H])C#N |
| SPLASH |
splash10-0002-2941000000-6b003def7fd566f6660e |
| Source of Spectrum |
Y-57-SM15-4g |
| Wiley ID |
1859993 |
![(7R,7aS)-5-Amino-7-(4-chlorophenyl)-7a-isobutyl-1-oxo-3-thioxo-2,3,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-6-carbonitrile](/api/spectrum/I0UxhEEYeo7/structure.png?h=300&w=458 "(7R,7aS)-5-Amino-7-(4-chlorophenyl)-7a-isobutyl-1-oxo-3-thioxo-2,3,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-6-carbonitrile")
