![2-[(1-Hydroxycyclohexyl)methyl]-3H-quinazoline-4-thione](/api/spectrum/HpY2IuDOifp/structure.png?h=300&w=458 "2-[(1-Hydroxycyclohexyl)methyl]-3H-quinazoline-4-thione")
| SpectraBase Compound ID | BB53bZOl9ZF |
|---|---|
| InChI | InChI=1S/C15H18N2OS/c18-15(8-4-1-5-9-15)10-13-16-12-7-3-2-6-11(12)14(19)17-13/h2-3,6-7,18H,1,4-5,8-10H2,(H,16,17,19) |
| InChIKey | BCFKGEZHXXFYIH-UHFFFAOYSA-N |
| Mol Weight | 274.38 g/mol |
| Molecular Formula | C15H18N2OS |
| Exact Mass | 274.113984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HpY2IuDOifp |
|---|---|
| Name | 2-[(1-Hydroxycyclohexyl)methyl]-3H-quinazoline-4-thione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.113984381 u |
| Formula | C15H18N2OS |
| InChI | InChI=1S/C15H18N2OS/c18-15(8-4-1-5-9-15)10-13-16-12-7-3-2-6-11(12)14(19)17-13/h2-3,6-7,18H,1,4-5,8-10H2,(H,16,17,19) |
| InChIKey | BCFKGEZHXXFYIH-UHFFFAOYSA-N |
| SMILES | C1(=NC=2C=CC=CC2C(N1)=S)CC1(CCCCC1)O |