| SpectraBase Spectrum ID |
J0f7WbbB29j |
| Name |
1,5-bis(m-Nitrophenoxy)pentane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.116486302 u |
| Formula |
C17H18N2O6 |
| InChI |
InChI=1S/C17H18N2O6/c20-18(21)14-6-4-8-16(12-14)24-10-2-1-3-11-25-17-9-5-7-15(13-17)19(22)23/h4-9,12-13H,1-3,10-11H2 |
| InChIKey |
WCJSSULXVRRUJR-UHFFFAOYSA-N |
| SMILES |
N(=O)(=O)C1=CC=CC(OCCCCCOC2=CC=CC(=C2)N(=O)=O)=C1 |
| Spectrum/Structure Validation Score (Raman) |
0.920781 |
