| SpectraBase Spectrum ID |
LD5YTBBsoaK |
| Name |
(7-Nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.064056806 u |
| Formula |
C9H10N2O4 |
| InChI |
InChI=1S/C9H10N2O4/c10-6-4-8-9(5-7(6)11(12)13)15-3-1-2-14-8/h4-5H,1-3,10H2 |
| InChIKey |
AFALZDMHQHIVNC-UHFFFAOYSA-N |
| Molecular Weight |
210.189 g/mol |
| SMILES |
C=1(N(=O)=O)C=C2OCCCOC2=CC1N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891136 |
