SpectraBase Spectrum ID |
2ynRPKufFX2 |
Name |
2-benzofurancarboxylic acid, 3-methyl-5-[[4-(2-methyl-1H-indol-3-yl)-1-piperidinyl]sulfonyl]-, 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 |
480.171893179 u |
Formula |
C26H28N2O5S |
InChI |
InChI=1S/C26H28N2O5S/c1-4-32-26(29)25-16(2)21-15-19(9-10-23(21)33-25)34(30,31)28-13-11-18(12-14-28)24-17(3)27-22-8-6-5-7-20(22)24/h5-10,15,18,27H,4,11-14H2,1-3H3 |
InChIKey |
RUPPSCPTNQPZBU-UHFFFAOYSA-N |
Molecular Weight |
480.579 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_4881 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12708473 |