| SpectraBase Spectrum ID |
L8HjN3gnOpu |
| Name |
(7R,7aS)-5-Amino-7-(4-bromophenyl)-7a-isopropyl-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 |
C16H15BrN4OS |
| InChI |
InChI=1S/C16H15BrN4OS/c1-8(2)16-12(9-3-5-10(17)6-4-9)11(7-18)13(19)21(16)15(23)20-14(16)22/h3-6,8,12H,19H2,1-2H3,(H,20,22,23)/t12-,16+/m1/s1 |
| InChIKey |
XAVYPTSOSXNELR-WBMJQRKESA-N |
| Instrument Name |
Finnigan-MAT-8430 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.3762 |
| Molecular Weight |
391.287 g/mol |
| SMILES |
NC1=C([C@]([C@@]2(N1C(NC2=O)=S)C(C)C)(c1ccc(cc1)Br)[H])C#N |
| SPLASH |
splash10-0a5d-5943000000-87f6fd6fc16abbc773d7 |
| Source of Spectrum |
Y-57-SM13-4f |
| Wiley ID |
1859992 |
![(7R,7aS)-5-Amino-7-(4-bromophenyl)-7a-isopropyl-1-oxo-3-thioxo-2,3,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-6-carbonitrile](/api/spectrum/L8HjN3gnOpu/structure.png?h=300&w=458 "(7R,7aS)-5-Amino-7-(4-bromophenyl)-7a-isopropyl-1-oxo-3-thioxo-2,3,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-6-carbonitrile")
