| SpectraBase Compound ID | WSU7yiLhFM |
|---|---|
| InChI | InChI=1S/C9H8N2/c10-6-8-9(11-8)7-4-2-1-3-5-7/h1-5,8-9,11H/t8-,9-/m0/s1 |
| InChIKey | PBNPTRKEHUFRPP-IUCAKERBSA-N |
| Mol Weight | 144.18 g/mol |
| Molecular Formula | C9H8N2 |
| Exact Mass | 144.068748 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EnDtBCd3zag |
|---|---|
| Name | (S*,R*)-3-Phenyl-2-cyano-aziridine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.068748266 u |
| Formula | C9H8N2 |
| InChI | InChI=1S/C9H8N2/c10-6-8-9(11-8)7-4-2-1-3-5-7/h1-5,8-9,11H/t8-,9-/m0/s1 |
| InChIKey | PBNPTRKEHUFRPP-IUCAKERBSA-N |
| Molecular Weight | 144.177 g/mol |
| SMILES | [C@@]1(N[C@]1(C1=CC=CC=C1)[H])(C#N)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955449 |