| SpectraBase Compound ID | 2TMNAvPT4df |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-4-5-11-22-18(21)19-16(17(20)23-13-14(2)3)12-15-9-7-6-8-10-15/h6-10,14,16H,4-5,11-13H2,1-3H3,(H,19,21) |
| InChIKey | NQASPPKWDRPKMK-UHFFFAOYSA-N |
| Mol Weight | 321.42 g/mol |
| Molecular Formula | C18H27NO4 |
| Exact Mass | 321.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8jXlZ9sCEDd |
|---|---|
| Name | L-Phenylalanine, N-butoxycarbonyl-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.194008349 u |
| Formula | C18H27NO4 |
| InChI | InChI=1S/C18H27NO4/c1-4-5-11-22-18(21)19-16(17(20)23-13-14(2)3)12-15-9-7-6-8-10-15/h6-10,14,16H,4-5,11-13H2,1-3H3,(H,19,21) |
| InChIKey | NQASPPKWDRPKMK-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | CCCCOC(NC(C(OCC(C)C)=O)CC1=CC=CC=C1)=O |