SpectraBase Spectrum ID |
2ZQ3ShV7kGP |
Name |
4-piperidinecarboxylic acid, 1-[(4-methylphenyl)sulfonyl]-, (3,4-dichlorophenyl)methyl ester |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
441.056834730 u |
Formula |
C20H21Cl2NO4S |
InChI |
InChI=1S/C20H21Cl2NO4S/c1-14-2-5-17(6-3-14)28(25,26)23-10-8-16(9-11-23)20(24)27-13-15-4-7-18(21)19(22)12-15/h2-7,12,16H,8-11,13H2,1H3 |
InChIKey |
BJFIQEHKZVIGLS-UHFFFAOYSA-N |
Molecular Weight |
442.357 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_537 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: ZI/7115692; Lab Info: LD; Lab Number: LD-1400064 |
Temperature |
29.85 °C |