| SpectraBase Compound ID | DLLPZXeTvxh |
|---|---|
| InChI | InChI=1S/C16H29NO4S/c1-4-6-8-10-14(18)17-13(16(20)21-3)12-22-15(19)11-9-7-5-2/h13H,4-12H2,1-3H3,(H,17,18) |
| InChIKey | YCIZSACBLKKKCO-UHFFFAOYSA-N |
| Mol Weight | 331.47 g/mol |
| Molecular Formula | C16H29NO4S |
| Exact Mass | 331.18173 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KUUgtNptwxE |
|---|---|
| Name | L-Cysteine, N,S-bis(caproyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.181729588 u |
| Formula | C16H29NO4S |
| InChI | InChI=1S/C16H29NO4S/c1-4-6-8-10-14(18)17-13(16(20)21-3)12-22-15(19)11-9-7-5-2/h13H,4-12H2,1-3H3,(H,17,18) |
| InChIKey | YCIZSACBLKKKCO-UHFFFAOYSA-N |
| Molecular Weight | 331.471 g/mol |
| SMILES | C(C)CCCC(SCC(C(OC)=O)NC(=O)CCCCC)=O |