| SpectraBase Compound ID | 54tvfuA5fuH |
|---|---|
| InChI | InChI=1S/C14H24O3/c1-12(15)17-14-11-9-7-5-3-2-4-6-8-10-13(14)16/h14H,2-11H2,1H3 |
| InChIKey | NNIWFQDGZUCXBB-UHFFFAOYSA-N |
| Mol Weight | 240.34 g/mol |
| Molecular Formula | C14H24O3 |
| Exact Mass | 240.172545 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2u7y8wILq9F |
|---|---|
| Name | 2-Acetoxycyclododecanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.172544630 u |
| Formula | C14H24O3 |
| InChI | InChI=1S/C14H24O3/c1-12(15)17-14-11-9-7-5-3-2-4-6-8-10-13(14)16/h14H,2-11H2,1H3 |
| InChIKey | NNIWFQDGZUCXBB-UHFFFAOYSA-N |
| Molecular Weight | 240.343 g/mol |
| SMILES | C(OC1C(=O)CCCCCCCCCC1)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899195 |