SpectraBase Spectrum ID |
7XzEHQ1Evy0 |
Name |
1,3-Oxazine-4(4H)-one, 2-[(1,3-dithiolan-2-ylidene)]amino-6-(4-tolyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
304.034019980 u |
Formula |
C14H12N2O2S2 |
InChI |
InChI=1S/C14H12N2O2S2/c1-9-2-4-10(5-3-9)11-8-12(17)15-13(18-11)16-14-19-6-7-20-14/h2-5,8H,6-7H2,1H3 |
InChIKey |
NTBWLSBQIDQXGZ-UHFFFAOYSA-N |
Molecular Weight |
304.382 g/mol |
SMILES |
C1(=NC(=O)C=C(O1)C=1C=CC(C)=CC1)N=C1SCCS1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862744 |