| SpectraBase Compound ID | 6W1Qj1NvgiA |
|---|---|
| InChI | InChI=1S/C11H18O5/c1-4-15-10(13)6-5-7-11(14)16-9(3)8(2)12/h9H,4-7H2,1-3H3 |
| InChIKey | JYIIATMIXBDCJC-UHFFFAOYSA-N |
| Mol Weight | 230.26 g/mol |
| Molecular Formula | C11H18O5 |
| Exact Mass | 230.115424 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6tuBu6B2uV6 |
|---|---|
| Name | Glutaric acid, ethyl 3-oxobut-2-yl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.115423675 u |
| Formula | C11H18O5 |
| InChI | InChI=1S/C11H18O5/c1-4-15-10(13)6-5-7-11(14)16-9(3)8(2)12/h9H,4-7H2,1-3H3 |
| InChIKey | JYIIATMIXBDCJC-UHFFFAOYSA-N |
| Molecular Weight | 230.260 g/mol |
| SMILES | CC(C(OC(CCCC(OCC)=O)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.879766 |