| SpectraBase Spectrum ID |
8fV4DlexbBF |
| Name |
1,3-bis(3-Isocyanato-4-methylphenyl)-1,3-diazetidine-2,4-dione; desmodur tt |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.085854878 u |
| Formula |
C18H12N4O4 |
| InChI |
InChI=1S/C18H12N4O4/c1-11-3-5-13(7-15(11)19-9-23)21-17(25)22(18(21)26)14-6-4-12(2)16(8-14)20-10-24/h3-8H,1-2H3 |
| InChIKey |
LOCPTSFJZDIICR-UHFFFAOYSA-N |
| Molecular Weight |
348.318 g/mol |
| Nominal Mass |
348 u |
| SMILES |
C1(N(C(N1C1=CC(=C(C=C1)C)N=C=O)=O)C1=CC(=C(C=C1)C)N=C=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.778406 |
