| SpectraBase Compound ID | 2johz6eHTPa |
|---|---|
| InChI | InChI=1S/C14H18O/c1-3-4-5-6-7-13-8-10-14(11-9-13)12(2)15/h6-11H,3-5H2,1-2H3/b7-6+ |
| InChIKey | BWEPZNANRIFTAF-VOTSOKGWSA-N |
| Mol Weight | 202.3 g/mol |
| Molecular Formula | C14H18O |
| Exact Mass | 202.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4qI885WcFto |
|---|---|
| Name | 4-{(1E)-Hexenyl}acetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.135765199 u |
| Formula | C14H18O |
| InChI | InChI=1S/C14H18O/c1-3-4-5-6-7-13-8-10-14(11-9-13)12(2)15/h6-11H,3-5H2,1-2H3/b7-6+ |
| InChIKey | BWEPZNANRIFTAF-VOTSOKGWSA-N |
| Molecular Weight | 202.297 g/mol |
| SMILES | C(C=1C=CC(\C=C\CCCC)=CC1)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924217 |