| SpectraBase Compound ID | JVjXJOSJ9u1 |
|---|---|
| InChI | InChI=1S/C11H14ClNO4S/c1-8(11(14)17-3)13(2)18(15,16)10-6-4-9(12)5-7-10/h4-8H,1-3H3/t8-/m0/s1 |
| InChIKey | DQSHFZQRCSKAFW-QMMMGPOBSA-N |
| Mol Weight | 291.75 g/mol |
| Molecular Formula | C11H14ClNO4S |
| Exact Mass | 291.033207 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HVEZwo3l02x |
|---|---|
| Name | N-Methyl-N-4-chlorophenylsulfonyl-L-alanine methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.033206805 u |
| Formula | C11H14ClNO4S |
| InChI | InChI=1S/C11H14ClNO4S/c1-8(11(14)17-3)13(2)18(15,16)10-6-4-9(12)5-7-10/h4-8H,1-3H3/t8-/m0/s1 |
| InChIKey | DQSHFZQRCSKAFW-QMMMGPOBSA-N |
| SMILES | [C@](N(S(C=1C=CC(=CC1)Cl)(=O)=O)C)(C(=O)OC)(C)[H] |