| SpectraBase Compound ID | CTK0ityQ0Dn |
|---|---|
| InChI | InChI=1S/C12H23NO2S/c1-6-7-16-8-11(13-9(2)3)12(14)15-10(4)5/h6,9-11,13H,1,7-8H2,2-5H3 |
| InChIKey | GJRBNVQHFDBSJN-UHFFFAOYSA-N |
| Mol Weight | 245.38 g/mol |
| Molecular Formula | C12H23NO2S |
| Exact Mass | 245.14495 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 | 2CiNZa7lae6 |
|---|---|
| Name | S-Allyl-L-cysteine, N-isopropyl-, isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.144950157 u |
| Formula | C12H23NO2S |
| InChI | InChI=1S/C12H23NO2S/c1-6-7-16-8-11(13-9(2)3)12(14)15-10(4)5/h6,9-11,13H,1,7-8H2,2-5H3 |
| InChIKey | GJRBNVQHFDBSJN-UHFFFAOYSA-N |
| Molecular Weight | 245.381 g/mol |
| SMILES | C(OC(C)C)(C(CSCC=C)NC(C)C)=O |