| SpectraBase Spectrum ID |
IdHYGgNnJDm |
| Name |
4-acetyl-1-{[(4-fluorophenyl)methyl]sulfanyl}-5-(2-methoxynaphthalen-1-yl)-3-methylcyclohex-3-en-1-ylium chloride |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
470.123105056 u |
| Formula |
C25H24ClFN2O2S |
| InChI |
InChI=1S/C25H23FN2O2S.ClH/c1-15-22(16(2)29)24(23-20-7-5-4-6-18(20)10-13-21(23)30-3)28-25(27-15)31-14-17-8-11-19(26)12-9-17;/h4-13,24H,14H2,1-3H3,(H,27,28);1H |
| InChIKey |
QRYLSMRXQZCEFC-UHFFFAOYSA-N |
| Molecular Weight |
470.990 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_145 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8070945; Lab Info: LD; Lab Number: LD-1000297 |
| Temperature |
29.85 °C |
![4-acetyl-1-{[(4-fluorophenyl)methyl]sulfanyl}-5-(2-methoxynaphthalen-1-yl)-3-methylcyclohex-3-en-1-ylium chloride](/api/spectrum/IdHYGgNnJDm/structure.png?h=300&w=458 "4-acetyl-1-{[(4-fluorophenyl)methyl]sulfanyl}-5-(2-methoxynaphthalen-1-yl)-3-methylcyclohex-3-en-1-ylium chloride")
