| SpectraBase Compound ID | B3tx9giqDV7 |
|---|---|
| InChI | InChI=1S/C10H16O4/c1-8(11)7-9(12)5-3-4-6-10(13)14-2/h3-7H2,1-2H3 |
| InChIKey | JUBRHNJQHPPNQB-UHFFFAOYSA-N |
| Mol Weight | 200.23 g/mol |
| Molecular Formula | C10H16O4 |
| Exact Mass | 200.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BKVQIojjZCQ |
|---|---|
| Name | Methyl 6,8-dioxononanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.104858991 u |
| Formula | C10H16O4 |
| InChI | InChI=1S/C10H16O4/c1-8(11)7-9(12)5-3-4-6-10(13)14-2/h3-7H2,1-2H3 |
| InChIKey | JUBRHNJQHPPNQB-UHFFFAOYSA-N |
| Molecular Weight | 200.234 g/mol |
| SMILES | C(=O)(CC(CCCCC(OC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974207 |