| SpectraBase Spectrum ID |
4WrceLI59Pe |
| Name |
2H-Indol-2-one, 3-(6-amino-5-bromobenzo[B]thien-2(3H)-ylidene)-5,7-dibromo-1,3-dihydro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
527.777837645 u |
| Formula |
C16H7Br3N2O2S |
| InChI |
InChI=1S/C16H7Br3N2O2S/c17-5-1-7-12(16(23)21-13(7)9(19)2-5)15-14(22)6-3-8(18)10(20)4-11(6)24-15/h1-4H,20H2,(H,21,23)/b15-12+ |
| InChIKey |
BJRPKJLDVFWYPL-NTCAYCPXSA-N |
| Molecular Weight |
531.016 g/mol |
| SMILES |
N1C(\C(=C/2C(C3=C(C=C(C(=C3)Br)N)S2)=O)C2=C1C(=CC(=C2)Br)Br)=O |
| Spectrum/Structure Validation Score (Raman) |
0.92007 |
![2H-Indol-2-one, 3-(6-amino-5-bromobenzo[B]thien-2(3H)-ylidene)-5,7-dibromo-1,3-dihydro-](/api/spectrum/4WrceLI59Pe/structure.png?h=300&w=458 "2H-Indol-2-one, 3-(6-amino-5-bromobenzo[B]thien-2(3H)-ylidene)-5,7-dibromo-1,3-dihydro-")
