SpectraBase Spectrum ID |
1qktTICDUtV |
Name |
1,3-bis(m-Nitrophenoxy)propane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
318.085186173 u |
Formula |
C15H14N2O6 |
InChI |
InChI=1S/C15H14N2O6/c18-16(19)12-4-1-6-14(10-12)22-8-3-9-23-15-7-2-5-13(11-15)17(20)21/h1-2,4-7,10-11H,3,8-9H2 |
InChIKey |
WPUUBEBNMZPNCP-UHFFFAOYSA-N |
SMILES |
N(=O)(=O)C1=CC=CC(OCCCOC2=CC=CC(=C2)N(=O)=O)=C1 |
Spectrum/Structure Validation Score (Raman) |
0.919975 |