| SpectraBase Compound ID | LQg2UjoPdr7 |
|---|---|
| InChI | InChI=1S/C15H13N/c16-11-10-13-6-8-15(9-7-13)12-14-4-2-1-3-5-14/h1-9H,10,12H2 |
| InChIKey | RNZDBGKQDKFAPR-UHFFFAOYSA-N |
| Mol Weight | 207.28 g/mol |
| Molecular Formula | C15H13N |
| Exact Mass | 207.104799 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 53fQ79LZ6p2 |
|---|---|
| Name | 4-Benzylphenylacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.104799423 u |
| Formula | C15H13N |
| InChI | InChI=1S/C15H13N/c16-11-10-13-6-8-15(9-7-13)12-14-4-2-1-3-5-14/h1-9H,10,12H2 |
| InChIKey | RNZDBGKQDKFAPR-UHFFFAOYSA-N |
| Molecular Weight | 207.276 g/mol |
| SMILES | C1(=CC=CC=C1)CC1=CC=C(C=C1)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90407 |