![homocysteine, S-methyl-N-[3-methyl-2-[[(4-methylcyclohexyl)carbonyl]amino]-1-oxopentyl]-, methyl ester](/api/spectrum/43MxjyxvMua/structure.png?h=300&w=458 "homocysteine, S-methyl-N-[3-methyl-2-[[(4-methylcyclohexyl)carbonyl]amino]-1-oxopentyl]-, methyl ester")
| SpectraBase Compound ID | 77nEZK4M0hj |
|---|---|
| InChI | InChI=1S/C20H36N2O4S/c1-6-14(3)17(22-18(23)15-9-7-13(2)8-10-15)19(24)21-16(11-12-27-5)20(25)26-4/h13-17H,6-12H2,1-5H3,(H,21,24)(H,22,23)/t13-,14?,15-,16?,17? |
| InChIKey | IGJYQBVVOMWCIQ-DLASCLPFSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C20H36N2O4S |
| Exact Mass | 400.239579 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 43MxjyxvMua |
|---|---|
| Name | homocysteine, S-methyl-N-[3-methyl-2-[[(4-methylcyclohexyl)carbonyl]amino]-1-oxopentyl]-, methyl ester |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.239578817 u |
| Formula | C20H36N2O4S |
| InChI | InChI=1S/C20H36N2O4S/c1-6-14(3)17(22-18(23)15-9-7-13(2)8-10-15)19(24)21-16(11-12-27-5)20(25)26-4/h13-17H,6-12H2,1-5H3,(H,21,24)(H,22,23)/t13-,14?,15-,16?,17? |
| InChIKey | IGJYQBVVOMWCIQ-DLASCLPFSA-N |
| Molecular Weight | 400.578 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2021_4745 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13288463 |