| SpectraBase Compound ID | 8By7P7Qrvm3 |
|---|---|
| InChI | InChI=1S/C12H13N/c1-2-3-4-5-11-6-8-12(10-13)9-7-11/h2,6-9H,1,3-5H2 |
| InChIKey | JZKVGEZTJDWQJP-UHFFFAOYSA-N |
| Mol Weight | 171.24 g/mol |
| Molecular Formula | C12H13N |
| Exact Mass | 171.104799 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 45HFus1JXH4 |
|---|---|
| Name | 4-(E)-Pentenylbenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.104799423 u |
| Formula | C12H13N |
| InChI | InChI=1S/C12H13N/c1-2-3-4-5-11-6-8-12(10-13)9-7-11/h2,6-9H,1,3-5H2 |
| InChIKey | JZKVGEZTJDWQJP-UHFFFAOYSA-N |
| Molecular Weight | 171.243 g/mol |
| SMILES | C(#N)C1=CC=C(C=C1)CCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892018 |