SpectraBase Spectrum ID |
1AzXKirFXYx |
Name |
1H-benz[g]indole-3-carboxylic acid, 5-hydroxy-1-methyl-2-[(phenylthio)methyl]-, 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 |
391.124214711 u |
Formula |
C23H21NO3S |
InChI |
InChI=1S/C23H21NO3S/c1-3-27-23(26)21-18-13-20(25)16-11-7-8-12-17(16)22(18)24(2)19(21)14-28-15-9-5-4-6-10-15/h4-13,25H,3,14H2,1-2H3 |
InChIKey |
HTUVKIKYFLGCJO-UHFFFAOYSA-N |
Molecular Weight |
391.485 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_119 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/8305272; Lab Info: JMR; Lab Number: JMR-D000205 |
Temperature |
29.85 °C |