| SpectraBase Compound ID | EgzBNXCliPN |
|---|---|
| InChI | InChI=1S/C10H18ClNO4/c1-8(2)7-16-9(13)3-5-12-10(14)15-6-4-11/h8H,3-7H2,1-2H3,(H,12,14) |
| InChIKey | UYKJBTGDEYOEKQ-UHFFFAOYSA-N |
| Mol Weight | 251.71 g/mol |
| Molecular Formula | C10H18ClNO4 |
| Exact Mass | 251.092436 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1EG3K5T15Hw |
|---|---|
| Name | .beta.-Alanine, N-(2-chloroethoxycarbonyl)-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.092435760 u |
| Formula | C10H18ClNO4 |
| InChI | InChI=1S/C10H18ClNO4/c1-8(2)7-16-9(13)3-5-12-10(14)15-6-4-11/h8H,3-7H2,1-2H3,(H,12,14) |
| InChIKey | UYKJBTGDEYOEKQ-UHFFFAOYSA-N |
| Molecular Weight | 251.710 g/mol |
| SMILES | CC(C)COC(CCNC(OCCCl)=O)=O |