| SpectraBase Compound ID | 6a0uUQJyES5 |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-15-11(13)10(12(14)16-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3 |
| InChIKey | ZMYJSOIMFGAQRQ-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HVPtRkSdN5b |
|---|---|
| Name | Benzylmalonic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-15-11(13)10(12(14)16-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3 |
| InChIKey | ZMYJSOIMFGAQRQ-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 222.240 g/mol |
| SMILES | COC(=O)C(C(=O)OC)Cc1ccccc1 |
| SPLASH | splash10-03ec-3900000000-bc5ee94f889400b34e75 |
| Source of Spectrum | SRH-2022-2209-0 |
| Wiley ID | 1824569 |