| SpectraBase Compound ID | 9O4YcZvNp1V |
|---|---|
| InChI | InChI=1S/C13H16O/c1-13(2,3)12(14)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+ |
| InChIKey | YHFHIZDYJXYXOJ-MDZDMXLPSA-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 | AVTMsaGq2Tc |
|---|---|
| Name | Tert.-butyl-styryl-ketone |
| 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/c1-13(2,3)12(14)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+ |
| InChIKey | YHFHIZDYJXYXOJ-MDZDMXLPSA-N |
| Molecular Weight | 188.270 g/mol |
| SMILES | C(=O)(\C=C\C=1C=CC=CC1)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969013 |