SpectraBase Spectrum ID |
2uheDmAXU9B |
Name |
Trimeprazine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
298.150369890 u |
Formula |
C18H22N2S |
InChI |
InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3 |
InChIKey |
ZZHLYYDVIOPZBE-UHFFFAOYSA-N |
Molecular Weight |
298.448 g/mol |
SMILES |
C=1C=CC2=C(C1)SC1=C(N2CC(C)CN(C)C)C=CC=C1 |
Spectrum/Structure Validation Score (Raman) |
0.945757 |