| SpectraBase Compound ID | BXFfSUt0mGb |
|---|---|
| InChI | InChI=1S/C11H16O4/c1-4-5-6-7-8-9(10(12)14-2)11(13)15-3/h9H,6-8H2,1-3H3 |
| InChIKey | PRCVFFAXHWKIPN-UHFFFAOYSA-N |
| Mol Weight | 212.24 g/mol |
| Molecular Formula | C11H16O4 |
| Exact Mass | 212.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HiqXWONO1yH |
|---|---|
| Name | Methyl 2-methoxycarbonyloct-6-ynoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.104858991 u |
| Formula | C11H16O4 |
| InChI | InChI=1S/C11H16O4/c1-4-5-6-7-8-9(10(12)14-2)11(13)15-3/h9H,6-8H2,1-3H3 |
| InChIKey | PRCVFFAXHWKIPN-UHFFFAOYSA-N |
| Molecular Weight | 212.245 g/mol |
| SMILES | C(C(=O)OC)(C(=O)OC)CCCC#CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955994 |