| SpectraBase Compound ID | CUE2FINsFOd |
|---|---|
| InChI | InChI=1S/C15H29NO3S/c1-11(2)6-8-19-15(18)14(16-13(5)17)10-20-9-7-12(3)4/h11-12,14H,6-10H2,1-5H3,(H,16,17) |
| InChIKey | ZLNCEEGDKWMELZ-UHFFFAOYSA-N |
| Mol Weight | 303.46 g/mol |
| Molecular Formula | C15H29NO3S |
| Exact Mass | 303.186815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gqq9nPycVR9 |
|---|---|
| Name | N-Acetyl-S-(3-methylbutyl)-L-cysteine, 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.186814969 u |
| Formula | C15H29NO3S |
| InChI | InChI=1S/C15H29NO3S/c1-11(2)6-8-19-15(18)14(16-13(5)17)10-20-9-7-12(3)4/h11-12,14H,6-10H2,1-5H3,(H,16,17) |
| InChIKey | ZLNCEEGDKWMELZ-UHFFFAOYSA-N |
| SMILES | C(C(OCCC(C)C)=O)(NC(=O)C)CSCCC(C)C |