| SpectraBase Compound ID | C6wVCKZpPyT |
|---|---|
| InChI | InChI=1S/C10H13NO2/c1-3-6-10(13-9(2)12)7-4-5-8-11/h6,10H,1,4-5,7H2,2H3 |
| InChIKey | ISWIPMQUWMCLQS-UHFFFAOYSA-N |
| Mol Weight | 179.22 g/mol |
| Molecular Formula | C10H13NO2 |
| Exact Mass | 179.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DubfBDq6gse |
|---|---|
| Name | 7-Cyanohepta-1,2-dien-4-yl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.094628661 u |
| Formula | C10H13NO2 |
| InChI | InChI=1S/C10H13NO2/c1-3-6-10(13-9(2)12)7-4-5-8-11/h6,10H,1,4-5,7H2,2H3 |
| InChIKey | ISWIPMQUWMCLQS-UHFFFAOYSA-N |
| Molecular Weight | 179.219 g/mol |
| SMILES | C=C=CC(CCCC#N)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933799 |