| SpectraBase Spectrum ID |
KjFCCRS9Qt2 |
| Name |
3-Nitro-10-(piperidin-1-yl)-5,6,7,8-tetrahydrodibenzo[A,C]cyclooctene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.183778019 u |
| Formula |
C21H24N2O2 |
| InChI |
InChI=1S/C21H24N2O2/c24-23(25)19-9-11-21-17(15-19)7-3-2-6-16-14-18(8-10-20(16)21)22-12-4-1-5-13-22/h8-11,14-15H,1-7,12-13H2 |
| InChIKey |
GVVXCLKWLNTMFQ-UHFFFAOYSA-N |
| Molecular Weight |
336.435 g/mol |
| SMILES |
C=1(N(=O)=O)C=C2CCCCC=3C(C2=CC1)=CC=C(N1CCCCC1)C3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844929 |
![3-Nitro-10-(piperidin-1-yl)-5,6,7,8-tetrahydrodibenzo[a,c]cyclooctene](/api/spectrum/KjFCCRS9Qt2/structure.png?h=300&w=458 "3-Nitro-10-(piperidin-1-yl)-5,6,7,8-tetrahydrodibenzo[a,c]cyclooctene")
