| SpectraBase Compound ID | 4HUXDUABpda |
|---|---|
| InChI | InChI=1S/C11H13N/c1-3-11(2,9-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3 |
| InChIKey | ZYTRZWKPNXMMAD-UHFFFAOYSA-N |
| Mol Weight | 159.23 g/mol |
| Molecular Formula | C11H13N |
| Exact Mass | 159.104799 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GQ24D5wi2Zh |
|---|---|
| Name | Poly(alpha-phenylacrylonitrile) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.104799423 u |
| Formula | C11H13N |
| InChI | InChI=1S/C11H13N/c1-3-11(2,9-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3 |
| InChIKey | ZYTRZWKPNXMMAD-UHFFFAOYSA-N |
| Molecular Weight | 159.232 g/mol |
| Nominal Mass | 159 u |
| SMILES | C(C)C(C)(C1=CC=CC=C1)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.990854 |