| SpectraBase Compound ID | B4TegrgANEd |
|---|---|
| InChI | InChI=1S/C11H18O4/c1-4-5-15-11(14)10(13)7-9(12)6-8(2)3/h8H,4-7H2,1-3H3 |
| InChIKey | HYGCZUASYICGNB-UHFFFAOYSA-N |
| Mol Weight | 214.26 g/mol |
| Molecular Formula | C11H18O4 |
| Exact Mass | 214.120509 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 26qfE5BeYcu |
|---|---|
| Name | 2,4-Dioxo-6-methylheptanoic acid, propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.120509056 u |
| Formula | C11H18O4 |
| InChI | InChI=1S/C11H18O4/c1-4-5-15-11(14)10(13)7-9(12)6-8(2)3/h8H,4-7H2,1-3H3 |
| InChIKey | HYGCZUASYICGNB-UHFFFAOYSA-N |
| Molecular Weight | 214.261 g/mol |
| SMILES | C(=O)(CC(C)C)CC(=O)C(=O)OCCC |
| Spectrum/Structure Validation Score (Raman) | 0.995968 |