| SpectraBase Spectrum ID |
3sjrBHM3Udq |
| Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-[4-(methylthio)phenyl]-5-oxo-, phenylmethyl 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 |
419.155514840 u |
| Formula |
C25H25NO3S |
| InChI |
InChI=1S/C25H25NO3S/c1-16-22(25(28)29-15-17-7-4-3-5-8-17)23(18-11-13-19(30-2)14-12-18)24-20(26-16)9-6-10-21(24)27/h3-5,7-8,11-14,23,26H,6,9-10,15H2,1-2H3 |
| InChIKey |
PVGRDXXFNJVDGF-UHFFFAOYSA-N |
| Molecular Weight |
419.539 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11496 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10261510; Lab Info: SAS; Lab Number: SAS-tst4033 |
| Temperature |
23.85 °C |
