| SpectraBase Spectrum ID |
4BoOiiq970r |
| Name |
Cyclopropanecarbonitrile, 1,2-bis(p-nitrophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.074955842 u |
| Formula |
C16H11N3O4 |
| InChI |
InChI=1S/C16H11N3O4/c17-10-16(12-3-7-14(8-4-12)19(22)23)9-15(16)11-1-5-13(6-2-11)18(20)21/h1-8,15H,9H2 |
| InChIKey |
QMOQSTMQXUSYQB-UHFFFAOYSA-N |
| Molecular Weight |
309.281 g/mol |
| SMILES |
C(#N)C1(C(C2=CC=C(C=C2)N(=O)=O)C1)C1=CC=C(C=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950983 |
