| SpectraBase Compound ID | CINtmq0mlu7 |
|---|---|
| InChI | InChI=1S/C10H18O/c1-7(2)8(3)6-9(4)10(5)11/h6-7,9H,1-5H3/b8-6- |
| InChIKey | KXUADJOBFLTYSA-VURMDHGXSA-N |
| Mol Weight | 154.25 g/mol |
| Molecular Formula | C10H18O |
| Exact Mass | 154.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 69PB1I00JPu |
|---|---|
| Name | 4-Hepten-2-one, 3,5,6-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.135765199 u |
| Formula | C10H18O |
| InChI | InChI=1S/C10H18O/c1-7(2)8(3)6-9(4)10(5)11/h6-7,9H,1-5H3/b8-6- |
| InChIKey | KXUADJOBFLTYSA-VURMDHGXSA-N |
| Molecular Weight | 154.253 g/mol |
| SMILES | C(\C(=C/C(C(=O)C)C)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961814 |