SpectraBase Spectrum ID |
BRrzsHElZtA |
Name |
5-Phenoxymethyl-N-phenyl-2-thiazolin-2-amine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
284.098334316 u |
Formula |
C16H16N2OS |
InChI |
InChI=1S/C16H16N2OS/c1-3-7-13(8-4-1)18-16-17-11-15(20-16)12-19-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,17,18) |
InChIKey |
UNOAQHFYOBWWNW-UHFFFAOYSA-N |
SMILES |
C1=C(NC2=NCC(S2)COC2=CC=CC=C2)C=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869011 |