| SpectraBase Compound ID | 94UZdj8rVoQ |
|---|---|
| InChI | InChI=1S/C19H28O5/c1-6-9-12-23-17(20)19(7-2,8-3)18(21)24-16-13-14(4)10-11-15(16)22-5/h10-11,13H,6-9,12H2,1-5H3 |
| InChIKey | YLTNBFWYXNRALO-UHFFFAOYSA-N |
| Mol Weight | 336.43 g/mol |
| Molecular Formula | C19H28O5 |
| Exact Mass | 336.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IFfFpasYH4e |
|---|---|
| Name | Diethylmalonic acid, butyl 5-methyl-2-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.193673997 u |
| Formula | C19H28O5 |
| InChI | InChI=1S/C19H28O5/c1-6-9-12-23-17(20)19(7-2,8-3)18(21)24-16-13-14(4)10-11-15(16)22-5/h10-11,13H,6-9,12H2,1-5H3 |
| InChIKey | YLTNBFWYXNRALO-UHFFFAOYSA-N |
| Molecular Weight | 336.428 g/mol |
| SMILES | C(C(C(OCCCC)=O)(CC)CC)(OC=1C=C(C)C=CC1OC)=O |