| SpectraBase Compound ID | 1HLFj6Iz5gO |
|---|---|
| InChI | InChI=1S/C40H44N4O8/c1-4-37(27-51-39(47)43-35-19-11-31(12-20-35)25-29-7-15-33(16-8-29)41-28(2)45)52-40(48)44-36-21-13-32(14-22-36)26-30-9-17-34(18-10-30)42-38(46)50-24-6-5-23-49-3/h4,7-22,37H,1,5-6,23-27H2,2-3H3,(H,41,45)(H,42,46)(H,43,47)(H,44,48) |
| InChIKey | JTDLUTKPUWGEGU-UHFFFAOYSA-N |
| Mol Weight | 708.8 g/mol |
| Molecular Formula | C40H44N4O8 |
| Exact Mass | 708.315914 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K4OEKPsE4f7 |
|---|---|
| Name | Polyurethane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 708.315914385 u |
| Formula | C40H44N4O8 |
| InChI | InChI=1S/C40H44N4O8/c1-4-37(27-51-39(47)43-35-19-11-31(12-20-35)25-29-7-15-33(16-8-29)41-28(2)45)52-40(48)44-36-21-13-32(14-22-36)26-30-9-17-34(18-10-30)42-38(46)50-24-6-5-23-49-3/h4,7-22,37H,1,5-6,23-27H2,2-3H3,(H,41,45)(H,42,46)(H,43,47)(H,44,48) |
| InChIKey | JTDLUTKPUWGEGU-UHFFFAOYSA-N |
| Molecular Weight | 708.812 g/mol |
| SMILES | C(OC)CCCOC(NC1=CC=C(CC2=CC=C(C=C2)NC(OC(COC(=O)NC2=CC=C(C=C2)CC2=CC=C(C=C2)NC(C)=O)C=C)=O)C=C1)=O |