| SpectraBase Spectrum ID |
7ljUilwVZ37 |
| Name |
N-(4-Chlorophenyl)-8-methyl-6-sulfanylidene-3,4-dihydro-2H-oxazolo[3,4-A]pyrimidine-8-carbothioamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.026682130 u |
| Formula |
C14H14ClN3OS2 |
| InChI |
InChI=1S/C14H14ClN3OS2/c1-14(11-16-7-2-8-18(11)13(21)19-14)12(20)17-10-5-3-9(15)4-6-10/h3-6H,2,7-8H2,1H3,(H,17,20) |
| InChIKey |
MVWRWZAEBQHMIF-UHFFFAOYSA-N |
| Molecular Weight |
339.859 g/mol |
| SMILES |
C1(C=2N(CCCN2)C(O1)=S)(C(NC=1C=CC(=CC1)Cl)=S)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838246 |
![N-(4-chlorophenyl)-8-methyl-6-sulfanylidene-3,4-dihydro-2H-oxazolo[3,4-a]pyrimidine-8-carbothioamide](/api/spectrum/7ljUilwVZ37/structure.png?h=300&w=458 "N-(4-chlorophenyl)-8-methyl-6-sulfanylidene-3,4-dihydro-2H-oxazolo[3,4-a]pyrimidine-8-carbothioamide")
