| SpectraBase Compound ID | K3j7oBg0m2c |
|---|---|
| InChI | InChI=1S/C17H33NO4S/c1-5-6-7-8-9-11-21-16(19)15(10-12-23-4)18-17(20)22-13-14(2)3/h14-15H,5-13H2,1-4H3,(H,18,20) |
| InChIKey | PBKGJCIARYFJFL-UHFFFAOYSA-N |
| Mol Weight | 347.5 g/mol |
| Molecular Formula | C17H33NO4S |
| Exact Mass | 347.21303 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KDoYQ42ZKYA |
|---|---|
| Name | L-Methionine, N-isobutoxycarbonyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.213029717 u |
| Formula | C17H33NO4S |
| InChI | InChI=1S/C17H33NO4S/c1-5-6-7-8-9-11-21-16(19)15(10-12-23-4)18-17(20)22-13-14(2)3/h14-15H,5-13H2,1-4H3,(H,18,20) |
| InChIKey | PBKGJCIARYFJFL-UHFFFAOYSA-N |
| Molecular Weight | 347.514 g/mol |
| SMILES | CC(C)COC(NC(C(OCCCCCCC)=O)CCSC)=O |