| SpectraBase Spectrum ID |
9niiwuyEMAA |
| Name |
8-Methyl-N-phenyl-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 |
305.065654462 u |
| Formula |
C14H15N3OS2 |
| InChI |
InChI=1S/C14H15N3OS2/c1-14(12(19)16-10-6-3-2-4-7-10)11-15-8-5-9-17(11)13(20)18-14/h2-4,6-7H,5,8-9H2,1H3,(H,16,19) |
| InChIKey |
UECRFANAKIRAEZ-UHFFFAOYSA-N |
| Molecular Weight |
305.414 g/mol |
| SMILES |
C1(C=2N(CCCN2)C(O1)=S)(C(NC1=CC=CC=C1)=S)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944689 |
![8-Methyl-N-phenyl-6-sulfanylidene-3,4-dihydro-2H-oxazolo[3,4-a]pyrimidine-8-carbothioamide](/api/spectrum/9niiwuyEMAA/structure.png?h=300&w=458 "8-Methyl-N-phenyl-6-sulfanylidene-3,4-dihydro-2H-oxazolo[3,4-a]pyrimidine-8-carbothioamide")
