| SpectraBase Compound ID | 3mft7DvpzYb |
|---|---|
| InChI | InChI=1S/C13H20O4/c1-5-11(4)17-13(15)8-6-7-12(14)16-9-10(2)3/h1,10-11H,6-9H2,2-4H3 |
| InChIKey | PRLVZJOLCQXAPI-UHFFFAOYSA-N |
| Mol Weight | 240.3 g/mol |
| Molecular Formula | C13H20O4 |
| Exact Mass | 240.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GxYnxgvo4V6 |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.136159120 u |
| Formula | C13H20O4 |
| InChI | InChI=1S/C13H20O4/c1-5-11(4)17-13(15)8-6-7-12(14)16-9-10(2)3/h1,10-11H,6-9H2,2-4H3 |
| InChIKey | PRLVZJOLCQXAPI-UHFFFAOYSA-N |
| Molecular Weight | 240.299 g/mol |
| SMILES | C#CC(OC(CCCC(OCC(C)C)=O)=O)C |