| SpectraBase Compound ID | 7R6qJ1nWrbK |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-2-5-9(6-3-1)10-7-4-8-11-9/h1-8H2 |
| InChIKey | LSDTWMHYCLFXBZ-UHFFFAOYSA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LcTeEBhqNcy |
|---|---|
| Name | Cyclohexanone, cyclic trimethylene acetal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-2-5-9(6-3-1)10-7-4-8-11-9/h1-8H2 |
| InChIKey | LSDTWMHYCLFXBZ-UHFFFAOYSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C1C2(CCCC1)OCCCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914228 |