| SpectraBase Compound ID | JrUMtNFI96g |
|---|---|
| InChI | InChI=1S/C14H24O2/c1-13-10-8-6-4-2-3-5-7-9-11-14(15)16-12-13/h2,4,13H,3,5-12H2,1H3/b4-2- |
| InChIKey | NCQLNBIJRAMWQT-RQOWECAXSA-N |
| Mol Weight | 224.34 g/mol |
| Molecular Formula | C14H24O2 |
| Exact Mass | 224.17763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3VaNJWnUkCA |
|---|---|
| Name | 12-Methyl-13-tridec-7-enolide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.177630011 u |
| Formula | C14H24O2 |
| InChI | InChI=1S/C14H24O2/c1-13-10-8-6-4-2-3-5-7-9-11-14(15)16-12-13/h2,4,13H,3,5-12H2,1H3/b4-2- |
| InChIKey | NCQLNBIJRAMWQT-RQOWECAXSA-N |
| Molecular Weight | 224.344 g/mol |
| SMILES | C1(OCC(C)CCC\C=C/CCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976185 |