| SpectraBase Spectrum ID |
JOhtce710w1 |
| Name |
benzo[b]thiophene-3-carbonitrile, 2-[[(4-chlorophenyl)[(6-ethoxy-2-benzothiazolyl)thio]methyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
567.123953819 u |
| Formula |
C29H30ClN3OS3 |
| InChI |
InChI=1S/C29H30ClN3OS3/c1-5-34-20-11-13-23-25(15-20)36-28(32-23)37-26(17-6-9-19(30)10-7-17)33-27-22(16-31)21-12-8-18(29(2,3)4)14-24(21)35-27/h6-7,9-11,13,15,18,26,33H,5,8,12,14H2,1-4H3 |
| InChIKey |
XDFWKVYKQUSGKD-UHFFFAOYSA-N |
| Molecular Weight |
568.212 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_1872 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9213105; Lab Info: PNA; Lab Number: PNA-NA00002 |
| Temperature |
29.85 °C |
![benzo[b]thiophene-3-carbonitrile, 2-[[(4-chlorophenyl)[(6-ethoxy-2-benzothiazolyl)thio]methyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-](/api/spectrum/JOhtce710w1/structure.png?h=300&w=458 "benzo[b]thiophene-3-carbonitrile, 2-[[(4-chlorophenyl)[(6-ethoxy-2-benzothiazolyl)thio]methyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-")
