![1-[(E)-but-2-enyl]-2-sulfanylidene-4-quinazolinone](/api/spectrum/7S0KY2ske39/structure.png?h=300&w=458 "1-[(E)-but-2-enyl]-2-sulfanylidene-4-quinazolinone")
| SpectraBase Compound ID | CB2JTTWv0gc |
|---|---|
| InChI | InChI=1S/C12H12N2OS/c1-2-3-8-14-10-7-5-4-6-9(10)11(15)13-12(14)16/h2-7H,8H2,1H3,(H,13,15,16)/b3-2+ |
| InChIKey | KVVMYHQRPPJYID-NSCUHMNNSA-N |
| Mol Weight | 232.3 g/mol |
| Molecular Formula | C12H12N2OS |
| Exact Mass | 232.067034 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7S0KY2ske39 |
|---|---|
| Name | 1-[(E)-but-2-Enyl]-2-sulfanylidene-4-quinazolinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.067034187 u |
| Formula | C12H12N2OS |
| InChI | InChI=1S/C12H12N2OS/c1-2-3-8-14-10-7-5-4-6-9(10)11(15)13-12(14)16/h2-7H,8H2,1H3,(H,13,15,16)/b3-2+ |
| InChIKey | KVVMYHQRPPJYID-NSCUHMNNSA-N |
| Molecular Weight | 232.301 g/mol |
| SMILES | C1(NC(C2=C(N1C\C=C\C)C=CC=C2)=O)=S |