| SpectraBase Compound ID | EJvqNLyLdnl |
|---|---|
| InChI | InChI=1S/C13H22O2/c1-3-11(2)7-5-4-6-8-12-9-10-13(14)15-12/h9,11H,3-8,10H2,1-2H3 |
| InChIKey | LXECKBJXFXENSF-UHFFFAOYSA-N |
| Mol Weight | 210.32 g/mol |
| Molecular Formula | C13H22O2 |
| Exact Mass | 210.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 598OJfFftpn |
|---|---|
| Name | 10-Methyldodec-3-en-4-olide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.161979946 u |
| Formula | C13H22O2 |
| InChI | InChI=1S/C13H22O2/c1-3-11(2)7-5-4-6-8-12-9-10-13(14)15-12/h9,11H,3-8,10H2,1-2H3 |
| InChIKey | LXECKBJXFXENSF-UHFFFAOYSA-N |
| Molecular Weight | 210.317 g/mol |
| SMILES | CCC(C)CCCCCC=1OC(=O)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900733 |