| SpectraBase Spectrum ID |
AbiexE5VgFy |
| Name |
2-azetidinemethanaminium, 3-(4-chlorophenoxy)-1-(2-methylphenyl)-N-[2-[4-(methylthio)phenyl]ethyl]-4-oxo-, 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 |
502.124854722 u |
| Formula |
C26H28Cl2N2O2S |
| InChI |
InChI=1S/C26H27ClN2O2S.ClH/c1-18-5-3-4-6-23(18)29-24(17-28-16-15-19-7-13-22(32-2)14-8-19)25(26(29)30)31-21-11-9-20(27)10-12-21;/h3-14,24-25,28H,15-17H2,1-2H3;1H |
| InChIKey |
TYMAKRNTBZTPBQ-UHFFFAOYSA-N |
| Molecular Weight |
503.488 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_4890 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12708496 |
![2-azetidinemethanaminium, 3-(4-chlorophenoxy)-1-(2-methylphenyl)-N-[2-[4-(methylthio)phenyl]ethyl]-4-oxo-, chloride](/api/spectrum/AbiexE5VgFy/structure.png?h=300&w=458 "2-azetidinemethanaminium, 3-(4-chlorophenoxy)-1-(2-methylphenyl)-N-[2-[4-(methylthio)phenyl]ethyl]-4-oxo-, chloride")
