SpectraBase Compound ID | Ai6yOaVkiNk |
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InChI | InChI=1S/C11H15N/c1-9(10(2)12-3)11-7-5-4-6-8-11/h4-9H,1-3H3 |
InChIKey | BWNRGZNVNJABCD-UHFFFAOYSA-N |
Mol Weight | 161.25 g/mol |
Molecular Formula | C11H15N |
Exact Mass | 161.120449 g/mol |
SpectraBase Spectrum ID | 14bA7vupqL8 |
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Name | Poly(alpha-phenylethylisonitrile) |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 161.120449487 u |
Formula | C11H15N |
InChI | InChI=1S/C11H15N/c1-9(10(2)12-3)11-7-5-4-6-8-11/h4-9H,1-3H3 |
InChIKey | BWNRGZNVNJABCD-UHFFFAOYSA-N |
Molecular Weight | 161.248 g/mol |
Nominal Mass | 161 u |
SMILES | CC(=NC)C(C=1C=CC=CC1)C |
Spectrum/Structure Validation Score (Raman) | 0.965591 |