| SpectraBase Spectrum ID |
AvIx3O6ZvcK |
| Name |
N,N-Dimethyl-2-[(3'-hydroxyphenyl)thio]-4-methoxybenzylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.113650028 u |
| Formula |
C16H19NO2S |
| InChI |
InChI=1S/C16H19NO2S/c1-17(2)11-12-7-8-14(19-3)10-16(12)20-15-6-4-5-13(18)9-15/h4-10,18H,11H2,1-3H3 |
| InChIKey |
UOTJCPKXENOSFE-UHFFFAOYSA-N |
| SMILES |
C=1(C(CN(C)C)=CC=C(C1)OC)SC=1C=C(O)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925932 |