| SpectraBase Spectrum ID |
8ZmrdZ2PCd7 |
| Name |
1-Nitro-4-(2-phenylcyclopropyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.094628661 u |
| Formula |
C15H13NO2 |
| InChI |
InChI=1S/C15H13NO2/c17-16(18)13-8-6-12(7-9-13)15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10H2 |
| InChIKey |
LYOHDPNWNLNIED-UHFFFAOYSA-N |
| Molecular Weight |
239.274 g/mol |
| SMILES |
C1(C(C=2C=CC=CC2)C1)C=1C=CC(N(=O)=O)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940828 |
