| SpectraBase Compound ID | 6O2wWaYRbun |
|---|---|
| InChI | InChI=1S/C15H20O4/c1-15(2,3)19-14(17)12(13(16)18-4)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3 |
| InChIKey | KVVXWEOYRWAPMV-UHFFFAOYSA-N |
| Mol Weight | 264.32 g/mol |
| Molecular Formula | C15H20O4 |
| Exact Mass | 264.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L4qadghALrK |
|---|---|
| Name | 1-Tert-butyl 3-methyl 2-benzylmalonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.136159120 u |
| Formula | C15H20O4 |
| InChI | InChI=1S/C15H20O4/c1-15(2,3)19-14(17)12(13(16)18-4)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3 |
| InChIKey | KVVXWEOYRWAPMV-UHFFFAOYSA-N |
| Molecular Weight | 264.321 g/mol |
| SMILES | COC(=O)C(C(OC(C)(C)C)=O)CC1=CC=CC=C1 |