| SpectraBase Spectrum ID |
94mAkpuTS4a |
| Name |
1,3,5-Triazine-2(1H)-thione, tetrahydro-5-[(4-methoxyphenyl)methyl]-1-(2-methylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.140533481 u |
| Formula |
C18H21N3OS |
| InChI |
InChI=1S/C18H21N3OS/c1-14-5-3-4-6-17(14)21-13-20(12-19-18(21)23)11-15-7-9-16(22-2)10-8-15/h3-10H,11-13H2,1-2H3,(H,19,23) |
| InChIKey |
DTKRAWSVXOVFHV-UHFFFAOYSA-N |
| Molecular Weight |
327.446 g/mol |
| SMILES |
CC1=C(C=CC=C1)N1CN(CNC1=S)CC1=CC=C(OC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883764 |
![1,3,5-Triazine-2(1H)-thione, tetrahydro-5-[(4-methoxyphenyl)methyl]-1-(2-methylphenyl)-](/api/spectrum/94mAkpuTS4a/structure.png?h=300&w=458 "1,3,5-Triazine-2(1H)-thione, tetrahydro-5-[(4-methoxyphenyl)methyl]-1-(2-methylphenyl)-")
