| SpectraBase Spectrum ID |
HNDzTOQN3B7 |
| Name |
[m,m'-Bitolyl]-4,4'-diol, diisocyanate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.089877632 u |
| Formula |
C16H12N2O2 |
| InChI |
InChI=1S/C16H12N2O2/c1-11-7-13(3-5-15(11)17-9-19)14-4-6-16(18-10-20)12(2)8-14/h3-8H,1-2H3 |
| InChIKey |
ICLCCFKUSALICQ-UHFFFAOYSA-N |
| Molecular Weight |
264.284 g/mol |
| SMILES |
C=1C(=CC(=C(C1)N=C=O)C)C=1C=C(C(=CC1)N=C=O)C |
| Spectrum/Structure Validation Score (Raman) |
0.941453 |
![[m,m'-Bitolyl]-4,4'-diol, diisocyanate](/api/spectrum/HNDzTOQN3B7/structure.png?h=300&w=458 "[m,m'-Bitolyl]-4,4'-diol, diisocyanate")
