| SpectraBase Compound ID | 4nEJgrSqn5q |
|---|---|
| InChI | InChI=1S/C39H46N2O6/c1-5-30-13-19-36(26-32(30)7-3)44-21-23-46-38(42)40-34-15-9-28(10-16-34)25-29-11-17-35(18-12-29)41-39(43)47-24-22-45-37-20-14-31(6-2)33(8-4)27-37/h9-20,26-27H,5-8,21-25H2,1-4H3,(H,40,42)(H,41,43) |
| InChIKey | SYTCSGAPDNDBKK-UHFFFAOYSA-N |
| Mol Weight | 638.8 g/mol |
| Molecular Formula | C39H46N2O6 |
| Exact Mass | 638.335587 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 | AvlUgKQhzLz |
|---|---|
| Name | Polyurethane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 638.335587203 u |
| Formula | C39H46N2O6 |
| InChI | InChI=1S/C39H46N2O6/c1-5-30-13-19-36(26-32(30)7-3)44-21-23-46-38(42)40-34-15-9-28(10-16-34)25-29-11-17-35(18-12-29)41-39(43)47-24-22-45-37-20-14-31(6-2)33(8-4)27-37/h9-20,26-27H,5-8,21-25H2,1-4H3,(H,40,42)(H,41,43) |
| InChIKey | SYTCSGAPDNDBKK-UHFFFAOYSA-N |
| Molecular Weight | 638.805 g/mol |
| Nominal Mass | 638 u |
| SMILES | C(OC1=CC=C(CC)C(=C1)CC)COC(=O)NC1=CC=C(CC=2C=CC(NC(OCCOC=3C=CC(=C(C3)CC)CC)=O)=CC2)C=C1 |