| SpectraBase Compound ID | GE1wDufWC2Y |
|---|---|
| InChI | InChI=1S/C16H28O/c1-15-11-9-7-5-3-2-4-6-8-10-12-16(17)14-13-15/h1-14H2 |
| InChIKey | XYBXPGGQUYRHMN-UHFFFAOYSA-N |
| Mol Weight | 236.4 g/mol |
| Molecular Formula | C16H28O |
| Exact Mass | 236.214016 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 56ISnyGG4B9 |
|---|---|
| Name | 4-Methylene-cyclopentadecanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.214015521 u |
| Formula | C16H28O |
| InChI | InChI=1S/C16H28O/c1-15-11-9-7-5-3-2-4-6-8-10-12-16(17)14-13-15/h1-14H2 |
| InChIKey | XYBXPGGQUYRHMN-UHFFFAOYSA-N |
| Molecular Weight | 236.399 g/mol |
| SMILES | C1(=O)CCC(=C)CCCCCCCCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939543 |