| SpectraBase Compound ID | Hx2cc7dBAno |
|---|---|
| InChI | InChI=1S/C10H18N2O5/c1-4-17-10(15)12-7(2)9(14)11-6-5-8(13)16-3/h7H,4-6H2,1-3H3,(H,11,14)(H,12,15) |
| InChIKey | SEHUXTNEWOLLJC-UHFFFAOYSA-N |
| Mol Weight | 246.26 g/mol |
| Molecular Formula | C10H18N2O5 |
| Exact Mass | 246.121572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 71vJSbsNJZZ |
|---|---|
| Name | L-ala-.beta.-ala, N-(Ethoxycarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.121571683 u |
| Formula | C10H18N2O5 |
| InChI | InChI=1S/C10H18N2O5/c1-4-17-10(15)12-7(2)9(14)11-6-5-8(13)16-3/h7H,4-6H2,1-3H3,(H,11,14)(H,12,15) |
| InChIKey | SEHUXTNEWOLLJC-UHFFFAOYSA-N |
| Molecular Weight | 246.263 g/mol |
| SMILES | C(=O)(C(NC(OCC)=O)C)NCCC(=O)OC |