![Quinine ester of poly[(carboxyethyleneoxycarbonyl)-1-methyl-1-ethylene]](/api/spectrum/92PpbtKrX1d/structure.png?h=300&w=458 "Quinine ester of poly[(carboxyethyleneoxycarbonyl)-1-methyl-1-ethylene]")
| SpectraBase Compound ID | 51Ym8MdE9dO |
|---|---|
| InChI | InChI=1S/C29H38N2O5/c1-6-19-18-31-14-11-20(19)16-25(31)27(36-26(32)12-15-35-28(33)29(3,4)7-2)22-10-13-30-24-9-8-21(34-5)17-23(22)24/h6,8-10,13,17,19-20,25,27H,1,7,11-12,14-16,18H2,2-5H3/t19?,20-,25+,27?/m0/s1 |
| InChIKey | CYFKTYMSBLLFDM-SEMIZYOMSA-N |
| Mol Weight | 494.6 g/mol |
| Molecular Formula | C29H38N2O5 |
| Exact Mass | 494.278072 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 | 92PpbtKrX1d |
|---|---|
| Name | Quinine ester of poly[(carboxyethyleneoxycarbonyl)-1-methyl-1-ethylene] |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 494.278072327 u |
| Formula | C29H38N2O5 |
| InChI | InChI=1S/C29H38N2O5/c1-6-19-18-31-14-11-20(19)16-25(31)27(36-26(32)12-15-35-28(33)29(3,4)7-2)22-10-13-30-24-9-8-21(34-5)17-23(22)24/h6,8-10,13,17,19-20,25,27H,1,7,11-12,14-16,18H2,2-5H3/t19?,20-,25+,27?/m0/s1 |
| InChIKey | CYFKTYMSBLLFDM-SEMIZYOMSA-N |
| Molecular Weight | 494.632 g/mol |
| Nominal Mass | 494 u |
| SMILES | C(C)C(C(OCCC(=O)OC(C=1C=2C=C(C=CC2N=CC1)OC)[C@]1(C[C@@]2(CCN1CC2C=C)[H])[H])=O)(C)C |