![Methyl-N-[(4-methylcyclohexyl)carbonyl]homocysteine](/api/spectrum/5rp8d1EfFhO/structure.png?h=300&w=458 "Methyl-N-[(4-methylcyclohexyl)carbonyl]homocysteine")
| SpectraBase Compound ID | Cf4rZqGIoHK |
|---|---|
| InChI | InChI=1S/C13H23NO3S/c1-9-3-5-10(6-4-9)12(15)14-11(13(16)17)7-8-18-2/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17) |
| InChIKey | ASWLZJZGOOUBAB-UHFFFAOYSA-N |
| Mol Weight | 273.39 g/mol |
| Molecular Formula | C13H23NO3S |
| Exact Mass | 273.139865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5rp8d1EfFhO |
|---|---|
| Name | Methyl-N-[(4-methylcyclohexyl)carbonyl]homocysteine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.139864776 u |
| Formula | C13H23NO3S |
| InChI | InChI=1S/C13H23NO3S/c1-9-3-5-10(6-4-9)12(15)14-11(13(16)17)7-8-18-2/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17) |
| InChIKey | ASWLZJZGOOUBAB-UHFFFAOYSA-N |
| Molecular Weight | 273.391 g/mol |
| SMILES | C(SC)CC(NC(=O)C1CCC(CC1)C)C(=O)O |