| SpectraBase Spectrum ID |
DD4QuQ43XRs |
| Name |
Propanol, 3-[2,3-dihydro-4-(2,5-dimethylphenyl)-2-phenylimino-3-thiazolyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.145284509 u |
| Formula |
C20H22N2OS |
| InChI |
InChI=1S/C20H22N2OS/c1-15-9-10-16(2)18(13-15)19-14-24-20(22(19)11-6-12-23)21-17-7-4-3-5-8-17/h3-5,7-10,13-14,23H,6,11-12H2,1-2H3/b21-20- |
| InChIKey |
MTTDWWUTTUPTMV-MRCUWXFGSA-N |
| Molecular Weight |
338.469 g/mol |
| SMILES |
C=1(N(\C(SC1)=N\C=1C=CC=CC1)CCCO)C1=C(C=CC(=C1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851013 |
