| SpectraBase Compound ID | 5llGCSU62H2 |
|---|---|
| InChI | InChI=1S/C16H26O/c17-14-15(8-3-1-4-9-15)12-7-13-16(14)10-5-2-6-11-16/h1-13H2 |
| InChIKey | PGUAFPBHSZZKDP-UHFFFAOYSA-N |
| Mol Weight | 234.38 g/mol |
| Molecular Formula | C16H26O |
| Exact Mass | 234.198365 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jg26hRUgOd8 |
|---|---|
| Name | Dispiro[5.1.5.3]hexadecan-7-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.198365456 u |
| Formula | C16H26O |
| InChI | InChI=1S/C16H26O/c17-14-15(8-3-1-4-9-15)12-7-13-16(14)10-5-2-6-11-16/h1-13H2 |
| InChIKey | PGUAFPBHSZZKDP-UHFFFAOYSA-N |
| Molecular Weight | 234.383 g/mol |
| SMILES | C1(=O)C2(CCCC11CCCCC1)CCCCC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959327 |