| SpectraBase Spectrum ID |
LnODOS08ejB |
| Name |
Propanal, 2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-3-(1-ethyl-5-oxo-3-phenyl-2-thioxo-4-imidazolidinylidene)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.166748229 u |
| Formula |
C25H25N3O2S |
| InChI |
InChI=1S/C25H25N3O2S/c1-5-27-23(30)21(28(24(27)31)18-11-7-6-8-12-18)15-17(16-29)22-25(2,3)19-13-9-10-14-20(19)26(22)4/h6-16H,5H2,1-4H3/b21-15-,22-17+ |
| InChIKey |
LFCMVNFVHBHACB-CTZCZRIESA-N |
| Molecular Weight |
431.554 g/mol |
| SMILES |
C=1(C=CC=CC1)N1C(N(CC)C(\C1=C\C(C=O)=C\1N(C)C2=CC=CC=C2C1(C)C)=O)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952837 |
