| SpectraBase Compound ID | a2vgW7ROSm |
|---|---|
| InChI | InChI=1S/C18H24O6/c1-4-22-15(19)13-18(16(20)23-5-2,17(21)24-6-3)12-14-10-8-7-9-11-14/h7-11H,4-6,12-13H2,1-3H3 |
| InChIKey | RPNRGCZUORVKJF-UHFFFAOYSA-N |
| Mol Weight | 336.38 g/mol |
| Molecular Formula | C18H24O6 |
| Exact Mass | 336.157288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2APa0NTSLNX |
|---|---|
| Name | Butanedioic acid, 2-benzyl-2-carboxyl-, triethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.157288487 u |
| Formula | C18H24O6 |
| InChI | InChI=1S/C18H24O6/c1-4-22-15(19)13-18(16(20)23-5-2,17(21)24-6-3)12-14-10-8-7-9-11-14/h7-11H,4-6,12-13H2,1-3H3 |
| InChIKey | RPNRGCZUORVKJF-UHFFFAOYSA-N |
| Molecular Weight | 336.384 g/mol |
| SMILES | CCOC(=O)C(C(=O)OCC)(CC1=CC=CC=C1)CC(=O)OCC |