| SpectraBase Compound ID | Ch5xYHcZK83 |
|---|---|
| InChI | InChI=1S/C12H12O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-10H,1H3/b7-5-,10-6+ |
| InChIKey | PRNUCJKOERXADE-ZPRNNRRZSA-N |
| Mol Weight | 172.23 g/mol |
| Molecular Formula | C12H12O |
| Exact Mass | 172.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JvOJdtcK7pe |
|---|---|
| Name | (3Z,5E)-6-Phenyl-3,5-hexadien-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.088815005 u |
| Formula | C12H12O |
| InChI | InChI=1S/C12H12O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-10H,1H3/b7-5-,10-6+ |
| InChIKey | PRNUCJKOERXADE-ZPRNNRRZSA-N |
| Molecular Weight | 172.227 g/mol |
| SMILES | C=1(\C=C\C=C/C(=O)C)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968099 |