| SpectraBase Spectrum ID |
481xlreI17Q |
| Name |
5-Piperonylidene-2-thiohydantoin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.025563297 u |
| Formula |
C11H8N2O3S |
| InChI |
InChI=1S/C11H8N2O3S/c14-10-7(12-11(17)13-10)3-6-1-2-8-9(4-6)16-5-15-8/h1-4H,5H2,(H2,12,13,14,17)/b7-3+ |
| InChIKey |
PKAJHHBFVYAMMP-XVNBXDOJSA-N |
| Molecular Weight |
248.256 g/mol |
| SMILES |
C1(=S)N\C(C(=O)N1)=C/C1=CC=C2OCOC2=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895125 |
