| SpectraBase Spectrum ID |
ASBkM7lF56c |
| Name |
4-[[1,1-bis(Hydroxymethyl)ethyl]amino]-3,4'-dinitrodiphenyl sulfone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.073635685 u |
| Formula |
C16H17N3O8S |
| InChI |
InChI=1S/C16H17N3O8S/c1-16(9-20,10-21)17-14-7-6-13(8-15(14)19(24)25)28(26,27)12-4-2-11(3-5-12)18(22)23/h2-8,17,20-21H,9-10H2,1H3 |
| InChIKey |
RTUJBBQZKCHOPY-UHFFFAOYSA-N |
| Molecular Weight |
411.385 g/mol |
| SMILES |
CC(CO)(CO)NC1=CC=C(S(=O)(=O)C2=CC=C(N(=O)=O)C=C2)C=C1N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908117 |
![4-[[1,1-Bis(hydroxymethyl)ethyl]amino]-3,4'-dinitrodiphenyl sulfone](/api/spectrum/ASBkM7lF56c/structure.png?h=300&w=458 "4-[[1,1-Bis(hydroxymethyl)ethyl]amino]-3,4'-dinitrodiphenyl sulfone")
