SpectraBase Spectrum ID |
JsbOudnDGTE |
Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-(5-methyl-2-furanyl)-5-oxo-7-(2-thienyl)-, ethyl 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 |
397.134779395 u |
Formula |
C22H23NO4S |
InChI |
InChI=1S/C22H23NO4S/c1-4-26-22(25)19-13(3)23-15-10-14(18-6-5-9-28-18)11-16(24)20(15)21(19)17-8-7-12(2)27-17/h5-9,14,21,23H,4,10-11H2,1-3H3 |
InChIKey |
VXYBIPPBUMGPBO-UHFFFAOYSA-N |
Molecular Weight |
397.489 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_14672 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10311545; Lab Info: SAS; Lab Number: SAS-tst4340 |