| SpectraBase Compound ID | Lls39oBJdag |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-6-14(4)16(17(20)22-5)19(18(21)23-13(2)3)12-15-10-8-7-9-11-15/h7-11,13-14,16H,6,12H2,1-5H3 |
| InChIKey | RDSMYBJMILQHTQ-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 | DadzKGerW9f |
|---|---|
| Name | Benzyl-L-isoleucine, N-isopropyloxycarbonyl-, methyl 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/c1-6-14(4)16(17(20)22-5)19(18(21)23-13(2)3)12-15-10-8-7-9-11-15/h7-11,13-14,16H,6,12H2,1-5H3 |
| InChIKey | RDSMYBJMILQHTQ-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | C1(=CC=CC=C1)CN(C(C(OC)=O)C(C)CC)C(OC(C)C)=O |