| SpectraBase Spectrum ID |
GvVxqZ1RZRe |
| Name |
(8-Nitro-2,3,4,5-tetrahydro-1,6-benzodioxocin-9-yl)amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.079706870 u |
| Formula |
C10H12N2O4 |
| InChI |
InChI=1S/C10H12N2O4/c11-7-5-9-10(6-8(7)12(13)14)16-4-2-1-3-15-9/h5-6H,1-4,11H2 |
| InChIKey |
COKZAGBUEFFXGT-UHFFFAOYSA-N |
| Molecular Weight |
224.216 g/mol |
| SMILES |
C=1(N(=O)=O)C=C2OCCCCOC2=CC1N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896502 |
