| SpectraBase Compound ID | G01yBCcaUmL |
|---|---|
| InChI | InChI=1S/C12H12O2/c13-11-7-5-3-1-2-4-6-8-12(14)10-9-11/h1-4,9-10H2 |
| InChIKey | GKRYMINOXRUXMO-UHFFFAOYSA-N |
| Mol Weight | 188.23 g/mol |
| Molecular Formula | C12H12O2 |
| Exact Mass | 188.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E9SZdtayarc |
|---|---|
| Name | Cyclododeca-5,11-diyne-1,4-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.083729624 u |
| Formula | C12H12O2 |
| InChI | InChI=1S/C12H12O2/c13-11-7-5-3-1-2-4-6-8-12(14)10-9-11/h1-4,9-10H2 |
| InChIKey | GKRYMINOXRUXMO-UHFFFAOYSA-N |
| Molecular Weight | 188.226 g/mol |
| SMILES | C1#CCCCCC#CC(CCC1=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971043 |