| SpectraBase Compound ID | 7NvIN3iFLof |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-8(2)9(11)10(12)6-4-3-5-7-10/h12H,1,3-7H2,2H3 |
| InChIKey | GQDXAXJNXFAYMQ-UHFFFAOYSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BcrkaP9BXjD |
|---|---|
| Name | 2-Propen-1-one, 1-(1-hydroxycyclohexyl)-2-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-8(2)9(11)10(12)6-4-3-5-7-10/h12H,1,3-7H2,2H3 |
| InChIKey | GQDXAXJNXFAYMQ-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C(C1(O)CCCCC1)(C(=C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.871372 |