| SpectraBase Compound ID | 3GvOYYcarL3 |
|---|---|
| InChI | InChI=1S/C9H13NO4/c1-6(4-5-10)7(8(11)13-2)9(12)14-3/h6-7H,4H2,1-3H3 |
| InChIKey | BKUFHZUVRBCWEM-UHFFFAOYSA-N |
| Mol Weight | 199.21 g/mol |
| Molecular Formula | C9H13NO4 |
| Exact Mass | 199.084458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HPKgVgO2aeG |
|---|---|
| Name | (2-CYANO-1-METHYL)ETHYL PROPANEDIOIC ACID, DIMETHYL ESTER |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C9H13NO4 |
| InChI | InChI=1S/C9H13NO4/c1-6(4-5-10)7(8(11)13-2)9(12)14-3/h6-7H,4H2,1-3H3 |
| InChIKey | BKUFHZUVRBCWEM-UHFFFAOYSA-N |
| Molecular Weight | 199.0841 |
| SMILES | COC(C(C(OC)=O)C(C)CC#N)=O |
| SPLASH | splash10-0api-9400000000-366742e2da733182eca7 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |