| SpectraBase Spectrum ID |
2DNBrScEKF9 |
| Name |
bis[4-[.beta.-Hydroxy]ethylamino-3-nitrophenyl]sulfone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.084534722 u |
| Formula |
C16H18N4O8S |
| InChI |
InChI=1S/C16H18N4O8S/c21-7-5-17-13-3-1-11(9-15(13)19(23)24)29(27,28)12-2-4-14(18-6-8-22)16(10-12)20(25)26/h1-4,9-10,17-18,21-22H,5-8H2 |
| InChIKey |
HWJGZJXFUAFCJR-UHFFFAOYSA-N |
| Molecular Weight |
426.400 g/mol |
| SMILES |
C1(N(=O)=O)=CC(S(C2=CC=C(C(=C2)N(=O)=O)NCCO)(=O)=O)=CC=C1NCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945535 |
![bis[4-[.beta.-Hydroxy]ethylamino-3-nitrophenyl]sulfone](/api/spectrum/2DNBrScEKF9/structure.png?h=300&w=458 "bis[4-[.beta.-Hydroxy]ethylamino-3-nitrophenyl]sulfone")
