| SpectraBase Spectrum ID |
H94s0p4yz20 |
| Name |
(7R,7aS)-5-Amino-7-(4-bromophenyl)-7a-methyl-1-oxo-3-thioxo-2,3,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-6-carbonitrile |
| Appearance |
White powder |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H11BrN4OS |
| InChI |
InChI=1S/C14H11BrN4OS/c1-14-10(7-2-4-8(15)5-3-7)9(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 |
XKWJCYZQHLKEDY-YGRLFVJLSA-N |
| Instrument Name |
Finnigan-MAT-8430 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.3762 |
| Molecular Weight |
363.233 g/mol |
| SMILES |
NC1=C([C@]([C@@]2(N1C(NC2=O)=S)C)(c1ccc(cc1)Br)[H])C#N |
| SPLASH |
splash10-0m31-2911000000-2eb570e0587b6b0c4b8d |
| Source of Spectrum |
Y-57-SM7-4c |
| Wiley ID |
1859989 |
![(7R,7aS)-5-Amino-7-(4-bromophenyl)-7a-methyl-1-oxo-3-thioxo-2,3,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-6-carbonitrile](/api/spectrum/H94s0p4yz20/structure.png?h=300&w=458 "(7R,7aS)-5-Amino-7-(4-bromophenyl)-7a-methyl-1-oxo-3-thioxo-2,3,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-6-carbonitrile")
