![2-{[2-(1-azepanyl)-2-oxoethyl]sulfanyl}-5-(2-fluorobenzyl)-6-hydroxy-4(3H)-pyrimidinone](/api/spectrum/19LtoUnBjpz/structure.png?h=300&w=458 "2-{[2-(1-azepanyl)-2-oxoethyl]sulfanyl}-5-(2-fluorobenzyl)-6-hydroxy-4(3H)-pyrimidinone")
| SpectraBase Compound ID | na080dO9ni |
|---|---|
| InChI | InChI=1S/C19H22FN3O3S/c20-15-8-4-3-7-13(15)11-14-17(25)21-19(22-18(14)26)27-12-16(24)23-9-5-1-2-6-10-23/h3-4,7-8H,1-2,5-6,9-12H2,(H2,21,22,25,26) |
| InChIKey | YBNMMIVCRIQFDT-UHFFFAOYSA-N |
| Mol Weight | 391.46 g/mol |
| Molecular Formula | C19H22FN3O3S |
| Exact Mass | 391.136591 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 19LtoUnBjpz |
|---|---|
| Name | 2-{[2-(1-azepanyl)-2-oxoethyl]sulfanyl}-5-(2-fluorobenzyl)-6-hydroxy-4(3H)-pyrimidinone |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 391.136590914 u |
| Formula | C19H22FN3O3S |
| InChI | InChI=1S/C19H22FN3O3S/c20-15-8-4-3-7-13(15)11-14-17(25)21-19(22-18(14)26)27-12-16(24)23-9-5-1-2-6-10-23/h3-4,7-8H,1-2,5-6,9-12H2,(H2,21,22,25,26) |
| InChIKey | YBNMMIVCRIQFDT-UHFFFAOYSA-N |
| Molecular Weight | 391.461 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_3736 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12308122 |