| SpectraBase Compound ID | 5bd1bkwLkjJ |
|---|---|
| InChI | InChI=1S/C16H18O4S/c1-4-16(14(17)19-2,15(18)20-3)9-11-10-21-13-8-6-5-7-12(11)13/h5-8,10H,4,9H2,1-3H3 |
| InChIKey | TYCSWBRFXQMPQQ-UHFFFAOYSA-N |
| Mol Weight | 306.38 g/mol |
| Molecular Formula | C16H18O4S |
| Exact Mass | 306.09258 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6oikjIdkVvu |
|---|---|
| Name | 2-Ethyl-2-(3H-inden-1-ylmethyl)-malonic acid dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.092580230 u |
| Formula | C16H18O4S |
| InChI | InChI=1S/C16H18O4S/c1-4-16(14(17)19-2,15(18)20-3)9-11-10-21-13-8-6-5-7-12(11)13/h5-8,10H,4,9H2,1-3H3 |
| InChIKey | TYCSWBRFXQMPQQ-UHFFFAOYSA-N |
| Molecular Weight | 306.376 g/mol |
| SMILES | C(C(C(=O)OC)(CC1=CSC=2C=CC=CC12)CC)(=O)OC |