| SpectraBase Compound ID | 6R4QknPhTHF |
|---|---|
| InChI | InChI=1S/C20H29NO5/c1-6-7-8-13-25-16-11-9-15(10-12-16)14-17(18(22)24-5)21-19(23)26-20(2,3)4/h6,9-12,17H,1,7-8,13-14H2,2-5H3,(H,21,23)/t17-/m0/s1 |
| InChIKey | CRSMYHWETUTMMA-KRWDZBQOSA-N |
| Mol Weight | 363.45 g/mol |
| Molecular Formula | C20H29NO5 |
| Exact Mass | 363.204573 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Fohi16TNV8 |
|---|---|
| Name | o-Pent-4-enyl-N-tert-butoxycarbonyl-L-tyrosine methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.204573033 u |
| Formula | C20H29NO5 |
| InChI | InChI=1S/C20H29NO5/c1-6-7-8-13-25-16-11-9-15(10-12-16)14-17(18(22)24-5)21-19(23)26-20(2,3)4/h6,9-12,17H,1,7-8,13-14H2,2-5H3,(H,21,23)/t17-/m0/s1 |
| InChIKey | CRSMYHWETUTMMA-KRWDZBQOSA-N |
| Molecular Weight | 363.454 g/mol |
| SMILES | C(=O)(OC)[C@](CC1=CC=C(OCCCC=C)C=C1)(NC(=O)OC(C)(C)C)[H] |