| SpectraBase Compound ID | 4IiC7evunFD |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-5-12-23-18(21)19(13-15-10-8-7-9-11-15)16(14(3)6-2)17(20)22-4/h7-11,14,16H,5-6,12-13H2,1-4H3 |
| InChIKey | ZKYDJTIOCBTPBA-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 | ACsig465R9e |
|---|---|
| Name | Benzyl-L-isoleucine, N-(N-propyloxycarbonyl)-, 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/c1-5-12-23-18(21)19(13-15-10-8-7-9-11-15)16(14(3)6-2)17(20)22-4/h7-11,14,16H,5-6,12-13H2,1-4H3 |
| InChIKey | ZKYDJTIOCBTPBA-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | C1(=CC=CC=C1)CN(C(C(OC)=O)C(C)CC)C(OCCC)=O |