| SpectraBase Spectrum ID |
3I6Bv1l7q1K |
| Name |
3-Nitro-9,10-dihydro-9,10-ethanoanthracene-9-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.089877632 u |
| Formula |
C17H12N2O2 |
| InChI |
InChI=1S/C17H12N2O2/c18-10-17-8-7-12(13-3-1-2-4-15(13)17)14-9-11(19(20)21)5-6-16(14)17/h1-6,9,12H,7-8H2 |
| InChIKey |
UYGIESBYRTZNCH-UHFFFAOYSA-N |
| Molecular Weight |
276.295 g/mol |
| SMILES |
C12(C=3C(=CC(N(=O)=O)=CC3)C(CC1)C1=C2C=CC=C1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85983 |
