| SpectraBase Compound ID | Dz1lpeKPv9u |
|---|---|
| InChI | InChI=1S/C16H31NO2S/c1-6-11-20-12-15(17-9-7-13(2)3)16(18)19-10-8-14(4)5/h6,13-15,17H,1,7-12H2,2-5H3 |
| InChIKey | RAJQLRDEGYQGPW-UHFFFAOYSA-N |
| Mol Weight | 301.49 g/mol |
| Molecular Formula | C16H31NO2S |
| Exact Mass | 301.20755 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ay0vNIPde3x |
|---|---|
| Name | S-Allyl-L-cysteine, N-(3-methylbutyl)-, 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.207550414 u |
| Formula | C16H31NO2S |
| InChI | InChI=1S/C16H31NO2S/c1-6-11-20-12-15(17-9-7-13(2)3)16(18)19-10-8-14(4)5/h6,13-15,17H,1,7-12H2,2-5H3 |
| InChIKey | RAJQLRDEGYQGPW-UHFFFAOYSA-N |
| Molecular Weight | 301.489 g/mol |
| SMILES | C(OCCC(C)C)(C(CSCC=C)NCCC(C)C)=O |