SpectraBase Spectrum ID |
Gmk6GjNYtiR |
Name |
5-Methylthiazoline, 2-[4-methoxy-3-methylphenyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
221.087435280 u |
Formula |
C12H15NOS |
InChI |
InChI=1S/C12H15NOS/c1-8-6-10(4-5-11(8)14-3)12-13-7-9(2)15-12/h4-6,9H,7H2,1-3H3 |
InChIKey |
VKKNMUPPMAAMTA-UHFFFAOYSA-N |
Molecular Weight |
221.318 g/mol |
SMILES |
C1(=NCC(S1)C)C1=CC(=C(C=C1)OC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932701 |