| SpectraBase Spectrum ID |
GPOzM7zpGAV |
| Name |
Poly(ester urethane) based on methylene-bis(4-phenylisocyanate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
516.210780609 u |
| Formula |
C26H32N2O9 |
| InChI |
InChI=1S/C20H22N2O5.C6H10O4/c1-14(23)11-19(24)21-17-7-3-15(4-8-17)12-16-5-9-18(10-6-16)22-20(25)27-13-26-2;1-5(7)3-6(8)10-4-9-2/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25);3-4H2,1-2H3 |
| InChIKey |
YVUQMMPPANQIOJ-UHFFFAOYSA-N |
| SMILES |
C(CC(OCOC)=O)(=O)C.N(C=1C=CC(CC=2C=CC(=CC2)NC(CC(C)=O)=O)=CC1)C(OCOC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.855447 |
