| SpectraBase Spectrum ID |
7fdFqCadYjO |
| Name |
22-Nitro-3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-triene-2,19-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.132195935 u |
| Formula |
C18H23NO10 |
| InChI |
InChI=1S/C18H23NO10/c20-17-14-11-15(13-16(12-14)19(22)23)18(21)29-10-8-27-6-4-25-2-1-24-3-5-26-7-9-28-17/h11-13H,1-10H2 |
| InChIKey |
FBVGIYHAOMKBEB-UHFFFAOYSA-N |
| Molecular Weight |
413.379 g/mol |
| SMILES |
N(=O)(=O)C1=CC=2C(OCCOCCOCCOCCOCCOC(C(C2)=C1)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.836057 |
![22-Nitro-3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-triene-2,19-dione](/api/spectrum/7fdFqCadYjO/structure.png?h=300&w=458 "22-Nitro-3,6,9,12,15,18-hexaoxabicyclo[18.3.1]tetracosa-1(24),20,22-triene-2,19-dione")
