| SpectraBase Compound ID | L1NhoEN0VOO |
|---|---|
| InChI | InChI=1S/C17H25NO4/c1-14(2)7-6-12-21-16(19)10-11-18-17(20)22-13-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,18,20) |
| InChIKey | DMMCRHSIINDPPN-UHFFFAOYSA-N |
| Mol Weight | 307.39 g/mol |
| Molecular Formula | C17H25NO4 |
| Exact Mass | 307.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GFAsIGGJGTy |
|---|---|
| Name | .beta.- Alanine, N-benzyloxycarbonyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.178358285 u |
| Formula | C17H25NO4 |
| InChI | InChI=1S/C17H25NO4/c1-14(2)7-6-12-21-16(19)10-11-18-17(20)22-13-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,18,20) |
| InChIKey | DMMCRHSIINDPPN-UHFFFAOYSA-N |
| Molecular Weight | 307.390 g/mol |
| SMILES | C1=CC=CC=C1COC(NCCC(OCCCC(C)C)=O)=O |