| SpectraBase Compound ID | EYZAq5ybvM5 |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-5-22-18(21)17(19-14(4)20)12-15-6-8-16(9-7-15)23-11-10-13(2)3/h6-9,13,17H,5,10-12H2,1-4H3,(H,19,20) |
| InChIKey | RGZRMPOPYXRAAD-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 | D7GPczywUaH |
|---|---|
| Name | N-Acetyl-L-tyrosine, ethyl ester, 3-methylbutyl ether |
| 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/c1-5-22-18(21)17(19-14(4)20)12-15-6-8-16(9-7-15)23-11-10-13(2)3/h6-9,13,17H,5,10-12H2,1-4H3,(H,19,20) |
| InChIKey | RGZRMPOPYXRAAD-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | C1(CC(C(OCC)=O)NC(C)=O)=CC=C(C=C1)OCCC(C)C |