![Aniline, 3-[N-cyanoguanyl]-](/api/spectrum/CnEcTWIkkdk/structure.png?h=300&w=458 "Aniline, 3-[N-cyanoguanyl]-")
| SpectraBase Compound ID | LlAEdh7jl7H |
|---|---|
| InChI | InChI=1S/C8H8N4/c9-5-12-8(11)6-2-1-3-7(10)4-6/h1-4H,10H2,(H2,11,12) |
| InChIKey | TUTOOFSBWDWYMS-UHFFFAOYSA-N |
| Mol Weight | 160.18 g/mol |
| Molecular Formula | C8H8N4 |
| Exact Mass | 160.074896 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CnEcTWIkkdk |
|---|---|
| Name | Aniline, 3-[N-cyanoguanyl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.074896274 u |
| Formula | C8H8N4 |
| InChI | InChI=1S/C8H8N4/c9-5-12-8(11)6-2-1-3-7(10)4-6/h1-4H,10H2,(H2,11,12) |
| InChIKey | TUTOOFSBWDWYMS-UHFFFAOYSA-N |
| Molecular Weight | 160.180 g/mol |
| SMILES | C1(=CC=CC(=C1)N)\C(N)=N\C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957248 |