| SpectraBase Compound ID | C2mYEgmf98H |
|---|---|
| InChI | InChI=1S/C16H23NO4S/c1-4-21-16(19)17(12-13-8-6-5-7-9-13)14(10-11-22-3)15(18)20-2/h5-9,14H,4,10-12H2,1-3H3 |
| InChIKey | SUAWRQVAAFACER-UHFFFAOYSA-N |
| Mol Weight | 325.42 g/mol |
| Molecular Formula | C16H23NO4S |
| Exact Mass | 325.134779 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | eSoZaDMhSj |
|---|---|
| Name | N-Benzyl-D-methionine, N-(ethoxycarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.134779395 u |
| Formula | C16H23NO4S |
| InChI | InChI=1S/C16H23NO4S/c1-4-21-16(19)17(12-13-8-6-5-7-9-13)14(10-11-22-3)15(18)20-2/h5-9,14H,4,10-12H2,1-3H3 |
| InChIKey | SUAWRQVAAFACER-UHFFFAOYSA-N |
| Molecular Weight | 325.423 g/mol |
| SMILES | C1(=CC=CC=C1)CN(C(CCSC)C(=O)OC)C(OCC)=O |