SpectraBase Spectrum ID |
DiskhWHoPQi |
Name |
5,5-Dimethylthiazoline-2-resorcinol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
223.066699835 u |
Formula |
C11H13NO2S |
InChI |
InChI=1S/C11H13NO2S/c1-11(2)6-12-10(15-11)8-4-3-7(13)5-9(8)14/h3-5,13-14H,6H2,1-2H3 |
InChIKey |
AVIHZORMTGOALO-UHFFFAOYSA-N |
Molecular Weight |
223.290 g/mol |
SMILES |
C1(=NCC(S1)(C)C)C1=C(C=C(C=C1)O)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836503 |