| SpectraBase Spectrum ID |
6F2haguX5VG |
| Name |
1-{2,8-Dioxo-3,9-diazatricyclo[8.4.0.0(3,7)]tetradeca-1(10),11,13-trien-12-yl}-3-methylthiourea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.099396943 u |
| Formula |
C14H16N4O2S |
| InChI |
InChI=1S/C14H16N4O2S/c1-15-14(21)16-8-4-5-9-10(7-8)17-12(19)11-3-2-6-18(11)13(9)20/h4-5,7,11H,2-3,6H2,1H3,(H,17,19)(H2,15,16,21) |
| InChIKey |
QCWYINLXGDBVQQ-UHFFFAOYSA-N |
| Molecular Weight |
304.368 g/mol |
| SMILES |
CNC(=S)NC1=CC2=C(C=C1)C(=O)N1C(C(N2)=O)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919966 |
![1-{2,8-Dioxo-3,9-diazatricyclo[8.4.0.0(3,7)]tetradeca-1(10),11,13-trien-12-yl}-3-methylthiourea](/api/spectrum/6F2haguX5VG/structure.png?h=300&w=458 "1-{2,8-Dioxo-3,9-diazatricyclo[8.4.0.0(3,7)]tetradeca-1(10),11,13-trien-12-yl}-3-methylthiourea")
