| SpectraBase Spectrum ID |
6TlYtFGlPQI |
| Name |
9-Methyl-N-phenyl-7-sulfanylidene-2,3,4,5-tetrahydro-[1,3]oxazolo[3,4-A][1,3]diazepine-9-carbothioamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.081304526 u |
| Formula |
C15H17N3OS2 |
| InChI |
InChI=1S/C15H17N3OS2/c1-15(13(20)17-11-7-3-2-4-8-11)12-16-9-5-6-10-18(12)14(21)19-15/h2-4,7-8H,5-6,9-10H2,1H3,(H,17,20) |
| InChIKey |
FZGUUOLEHJZJHO-UHFFFAOYSA-N |
| Molecular Weight |
319.441 g/mol |
| SMILES |
C1(C=2N(CCCCN2)C(O1)=S)(C(NC1=CC=CC=C1)=S)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902592 |
![9-Methyl-N-phenyl-7-sulfanylidene-2,3,4,5-tetrahydro-[1,3]oxazolo[3,4-a][1,3]diazepine-9-carbothioamide](/api/spectrum/6TlYtFGlPQI/structure.png?h=300&w=458 "9-Methyl-N-phenyl-7-sulfanylidene-2,3,4,5-tetrahydro-[1,3]oxazolo[3,4-a][1,3]diazepine-9-carbothioamide")
