| SpectraBase Compound ID | IroNFTES39Z |
|---|---|
| InChI | InChI=1S/C26H36N2O6S/c1-14(10-23(30)28-20(12-27)17-5-7-19(35-4)8-6-17)9-21-25(32)24(31)18(13-33-21)11-22-26(34-22)15(2)16(3)29/h5-8,10,15-16,18,20-22,24-26,29,31-32H,9,11,13H2,1-4H3,(H,28,30)/b14-10+/t15-,16-,18-,20?,21-,22+,24+,25-,26-/m1/s1 |
| InChIKey | AEPLORBEUWBRCR-UXNIIXMTSA-N |
| Mol Weight | 504.6 g/mol |
| Molecular Formula | C26H36N2O6S |
| Exact Mass | 504.229408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gn7ATAD2gzA |
|---|---|
| Name | N-(alpha-CYANO-p-METHYLSULFONYL-BENZYL)-MONAMIDE |
| Compound Number | 1M |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C26H36N2O6S/c1-14(10-23(30)28-20(12-27)17-5-7-19(35-4)8-6-17)9-21-25(32)24(31)18(13-33-21)11-22-26(34-22)15(2)16(3)29/h5-8,10,15-16,18,20-22,24-26,29,31-32H,9,11,13H2,1-4H3,(H,28,30)/b14-10+/t15-,16-,18-,20?,21-,22+,24+,25-,26-/m1/s1 |
| InChIKey | AEPLORBEUWBRCR-UXNIIXMTSA-N |
| Literature Reference | A.K.FORREST,P.J.OHANLON,G.WALKER J.CHEM.SOC.PERKIN-1,2657(1994) |
| Solvent | Methanol-d4 |