| SpectraBase Compound ID | 6DrXInzd0OA |
|---|---|
| InChI | InChI=1S/C13H16O/c1-2-13(14)11-7-6-10-12-8-4-3-5-9-12/h3-9H,2,10-11H2,1H3/b7-6+ |
| InChIKey | SFXSJAUEJPZLOA-VOTSOKGWSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C13H16O |
| Exact Mass | 188.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 368SXSa3J9u |
|---|---|
| Name | 7-Phenyl-5trans-heptenone-3 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.120115134 u |
| Formula | C13H16O |
| InChI | InChI=1S/C13H16O/c1-2-13(14)11-7-6-10-12-8-4-3-5-9-12/h3-9H,2,10-11H2,1H3/b7-6+ |
| InChIKey | SFXSJAUEJPZLOA-VOTSOKGWSA-N |
| Molecular Weight | 188.270 g/mol |
| SMILES | C(=O)(C\C=C\CC=1C=CC=CC1)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964771 |