| SpectraBase Compound ID | FfUBqoXiERN |
|---|---|
| InChI | InChI=1S/C14H24O4/c1-5-6-10-17-13(15)8-7-9-14(16)18-12(4)11(2)3/h5-6,11-12H,7-10H2,1-4H3/b6-5+ |
| InChIKey | WPQXYBLTDMOFEY-AATRIKPKSA-N |
| Mol Weight | 256.34 g/mol |
| Molecular Formula | C14H24O4 |
| Exact Mass | 256.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8xR6twnWgKI |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-yl but-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.167459249 u |
| Formula | C14H24O4 |
| InChI | InChI=1S/C14H24O4/c1-5-6-10-17-13(15)8-7-9-14(16)18-12(4)11(2)3/h5-6,11-12H,7-10H2,1-4H3/b6-5+ |
| InChIKey | WPQXYBLTDMOFEY-AATRIKPKSA-N |
| Molecular Weight | 256.342 g/mol |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OC\C=C\C)=O |