| SpectraBase Compound ID | 2lJxXKayQhm |
|---|---|
| InChI | InChI=1S/C15H22O3/c16-14-10-8-6-4-2-1-3-5-7-9-13-18-15(17)12-11-14/h2,4-13H2 |
| InChIKey | KVDMEDHWRAWLDX-UHFFFAOYSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C15H22O3 |
| Exact Mass | 250.156895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 41QSHkFpgtB |
|---|---|
| Name | Oxacyclohexadec-11-yne-2,5-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.156894565 u |
| Formula | C15H22O3 |
| InChI | InChI=1S/C15H22O3/c16-14-10-8-6-4-2-1-3-5-7-9-13-18-15(17)12-11-14/h2,4-13H2 |
| InChIKey | KVDMEDHWRAWLDX-UHFFFAOYSA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | C1(OCCCCC#CCCCCCC(CC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981406 |