| SpectraBase Spectrum ID |
JNTSinLaM9P |
| Name |
4H-3,1-Benzothiazin-2-amine, 5,6,7,8-tetrahydro-N-methyl-4-phenyl-8-(phenylmethylene)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.150369890 u |
| Formula |
C22H22N2S |
| InChI |
InChI=1S/C22H22N2S/c1-23-22-24-20-18(15-16-9-4-2-5-10-16)13-8-14-19(20)21(25-22)17-11-6-3-7-12-17/h2-7,9-12,15,21H,8,13-14H2,1H3,(H,23,24)/b18-15+ |
| InChIKey |
ZAKDGPCVVKDSRO-OBGWFSINSA-N |
| Molecular Weight |
346.492 g/mol |
| SMILES |
C12=C(C(C3=CC=CC=C3)SC(=N1)NC)CCC\C2=C\C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817665 |
