| SpectraBase Compound ID | GwYWx6i4TP0 |
|---|---|
| InChI | InChI=1S/C17H25NO4/c1-2-3-4-8-13-21-16(19)11-12-18-17(20)22-14-15-9-6-5-7-10-15/h5-7,9-10H,2-4,8,11-14H2,1H3,(H,18,20) |
| InChIKey | ZJUXWCMUWVRAQH-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 | L16g3qFruW1 |
|---|---|
| Name | .beta.-Alanine, N-benzyloxycarbonyl-, hexyl 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/c1-2-3-4-8-13-21-16(19)11-12-18-17(20)22-14-15-9-6-5-7-10-15/h5-7,9-10H,2-4,8,11-14H2,1H3,(H,18,20) |
| InChIKey | ZJUXWCMUWVRAQH-UHFFFAOYSA-N |
| Molecular Weight | 307.390 g/mol |
| SMILES | C1=CC=CC=C1COC(NCCC(OCCCCCC)=O)=O |