| SpectraBase Spectrum ID |
1frMEcXOksf |
| Name |
3-Allyl-2-methyl-4(3H)-quinazolinethione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.072119568 u |
| Formula |
C12H12N2S |
| InChI |
InChI=1S/C12H12N2S/c1-3-8-14-9(2)13-11-7-5-4-6-10(11)12(14)15/h3-7H,1,8H2,2H3 |
| InChIKey |
WDJYTMVYLGBOSF-UHFFFAOYSA-N |
| Molecular Weight |
216.302 g/mol |
| SMILES |
C1=CC=C2C(=C1)C(N(C(=N2)C)CC=C)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967326 |
