| SpectraBase Compound ID | 3SdArS2GYl6 |
|---|---|
| InChI | InChI=1S/C12H11NO/c1-2-3-4-9-14-12-7-5-11(10-13)6-8-12/h5-8H,2,9H2,1H3 |
| InChIKey | VHNXUXARQGUARL-UHFFFAOYSA-N |
| Mol Weight | 185.23 g/mol |
| Molecular Formula | C12H11NO |
| Exact Mass | 185.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8JUQiUndfBA |
|---|---|
| Name | 4-(Pent-2-ynyloxy)benzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.084063977 u |
| Formula | C12H11NO |
| InChI | InChI=1S/C12H11NO/c1-2-3-4-9-14-12-7-5-11(10-13)6-8-12/h5-8H,2,9H2,1H3 |
| InChIKey | VHNXUXARQGUARL-UHFFFAOYSA-N |
| Molecular Weight | 185.226 g/mol |
| SMILES | C(C=1C=CC(=CC1)OCC#CCC)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896387 |