| SpectraBase Compound ID | IUxtR89Iy8D |
|---|---|
| InChI | InChI=1S/C7H13NO4/c1-4(2)6(7(11)12)8-3-5(9)10/h4,6,8H,3H2,1-2H3,(H,9,10)(H,11,12) |
| InChIKey | MZXLPKIEZZVMBY-UHFFFAOYSA-N |
| Mol Weight | 175.18 g/mol |
| Molecular Formula | C7H13NO4 |
| Exact Mass | 175.084458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9lOtPHHhvHL |
|---|---|
| Name | L-VALINE, N-(CARBOXYMETHYL)- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H13NO4 |
| InChI | InChI=1S/C7H13NO4/c1-4(2)6(7(11)12)8-3-5(9)10/h4,6,8H,3H2,1-2H3,(H,9,10)(H,11,12) |
| InChIKey | MZXLPKIEZZVMBY-UHFFFAOYSA-N |
| Molecular Weight | 175.0841 |
| SMILES | OC(C(NCC(=O)O)C(C)C)=O |
| SPLASH | splash10-001i-9100000000-f196f5f6350b8e83d3b9 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |