| SpectraBase Spectrum ID |
2qnk4ZaoYvi |
| Name |
(7S,7aS)-5-Amino-7-(2-chlorophenyl)-7a-methyl-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 |
C14H11ClN4OS |
| InChI |
InChI=1S/C14H11ClN4OS/c1-14-10(7-4-2-3-5-9(7)15)8(6-16)11(17)19(14)13(21)18-12(14)20/h2-5,10H,17H2,1H3,(H,18,20,21)/t10-,14+/m1/s1 |
| InChIKey |
VBFQZZCYRAFQLT-YGRLFVJLSA-N |
| Instrument Name |
Finnigan-MAT-8430 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.3762 |
| Molecular Weight |
318.782 g/mol |
| SMILES |
NC=1N2C(=S)NC([C@@]2([C@@](C1C#N)(c1c(cccc1)Cl)[H])C)=O |
| SPLASH |
splash10-0pe9-4900000000-ebe76259fae5e537bdbc |
| Source of Spectrum |
Y-57-SM5-4b |
| Wiley ID |
1859988 |
![(7S,7aS)-5-Amino-7-(2-chlorophenyl)-7a-methyl-1-oxo-3-thioxo-2,3,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-6-carbonitrile](/api/spectrum/2qnk4ZaoYvi/structure.png?h=300&w=458 "(7S,7aS)-5-Amino-7-(2-chlorophenyl)-7a-methyl-1-oxo-3-thioxo-2,3,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-6-carbonitrile")
