| SpectraBase Compound ID | 1TvqMeWpXZS |
|---|---|
| InChI | InChI=1S/C10H19NO4/c1-8(2)5-4-6-15-9(12)7-11-10(13)14-3/h8H,4-7H2,1-3H3,(H,11,13) |
| InChIKey | PEFGBFKOSNXXNU-UHFFFAOYSA-N |
| Mol Weight | 217.26 g/mol |
| Molecular Formula | C10H19NO4 |
| Exact Mass | 217.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EfEHBGsgr36 |
|---|---|
| Name | Glycine, N-methoxycarbonyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.131408092 u |
| Formula | C10H19NO4 |
| InChI | InChI=1S/C10H19NO4/c1-8(2)5-4-6-15-9(12)7-11-10(13)14-3/h8H,4-7H2,1-3H3,(H,11,13) |
| InChIKey | PEFGBFKOSNXXNU-UHFFFAOYSA-N |
| Molecular Weight | 217.265 g/mol |
| SMILES | COC(NCC(OCCCC(C)C)=O)=O |