| SpectraBase Compound ID | KZIUY8Nmf1X |
|---|---|
| InChI | InChI=1S/C12H13NO/c1-3-10(8-9-13)11-4-6-12(14-2)7-5-11/h4-8H,3H2,1-2H3/b10-8+ |
| InChIKey | IVBHIVHBVFKOQQ-CSKARUKUSA-N |
| Mol Weight | 187.24 g/mol |
| Molecular Formula | C12H13NO |
| Exact Mass | 187.099714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AZ6KM0pmTFS |
|---|---|
| Name | 2-Pentenenitrile, 3-(4-methoxyphenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.099714042 u |
| Formula | C12H13NO |
| InChI | InChI=1S/C12H13NO/c1-3-10(8-9-13)11-4-6-12(14-2)7-5-11/h4-8H,3H2,1-2H3/b10-8+ |
| InChIKey | IVBHIVHBVFKOQQ-CSKARUKUSA-N |
| Molecular Weight | 187.242 g/mol |
| SMILES | C1(=CC=C(C=C1)OC)\C(=C\C#N)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948336 |