| SpectraBase Compound ID | 9G2NVMwOQHY |
|---|---|
| InChI | InChI=1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3 |
| InChIKey | ITATYELQCJRCCK-UHFFFAOYSA-N |
| Mol Weight | 166.18 g/mol |
| Molecular Formula | C9H10O3 |
| Exact Mass | 166.062994 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CyXu760qsNZ |
|---|---|
| Name | Methyl mandelate |
| Alternate Name(s) | Mandelic acid methyl ester |
| Comments | MONAID: JP005665 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H10O3 |
| InChI | InChI=1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3 |
| InChIKey | ITATYELQCJRCCK-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| SMILES | OC(C(OC)=O)c1ccccc1 |
| SPLASH | splash10-0a4i-5900000000-063f64506d9a40d7d744 |
| Source of Spectrum | SRH-2022-5665-0 |
| Wiley ID | 1827692 |