| SpectraBase Compound ID | HMgLVhsrWKt |
|---|---|
| InChI | InChI=1S/C21H41NO2S/c1-5-9-12-15-22(16-13-10-6-2)20(19-25-18-8-4)21(23)24-17-14-11-7-3/h8,20H,4-7,9-19H2,1-3H3 |
| InChIKey | RJZWABHYFOUQBO-UHFFFAOYSA-N |
| Mol Weight | 371.6 g/mol |
| Molecular Formula | C21H41NO2S |
| Exact Mass | 371.285801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2bG7co7KArv |
|---|---|
| Name | S-Allyl-L-cysteine, N,N-bis(N-pentyl)-, N-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.285800736 u |
| Formula | C21H41NO2S |
| InChI | InChI=1S/C21H41NO2S/c1-5-9-12-15-22(16-13-10-6-2)20(19-25-18-8-4)21(23)24-17-14-11-7-3/h8,20H,4-7,9-19H2,1-3H3 |
| InChIKey | RJZWABHYFOUQBO-UHFFFAOYSA-N |
| Molecular Weight | 371.624 g/mol |
| SMILES | C(OCCCCC)(C(CSCC=C)N(CCCCC)CCCCC)=O |