| SpectraBase Spectrum ID |
KQvkS1nUQlH |
| Name |
4-[2-Hydroxyethyl]amino-3,4'-dinitrodiphenylsulfone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.047420938 u |
| Formula |
C14H13N3O7S |
| InChI |
InChI=1S/C14H13N3O7S/c18-8-7-15-13-6-5-12(9-14(13)17(21)22)25(23,24)11-3-1-10(2-4-11)16(19)20/h1-6,9,15,18H,7-8H2 |
| InChIKey |
NLVAJGNAMSPKSH-UHFFFAOYSA-N |
| Molecular Weight |
367.332 g/mol |
| SMILES |
C1(N(=O)=O)=C(C=CC(S(=O)(=O)C2=CC=C(N(=O)=O)C=C2)=C1)NCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939252 |
![4-[2-Hydroxyethyl]amino-3,4'-dinitrodiphenylsulfone](/api/spectrum/KQvkS1nUQlH/structure.png?h=300&w=458 "4-[2-Hydroxyethyl]amino-3,4'-dinitrodiphenylsulfone")
