| SpectraBase Spectrum ID |
CsIs1rRrAa0 |
| Name |
4H-1-benzopyran-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-4-[4-methoxy-2-[(2-pyridinylthio)methyl]phenyl]-7,7-dimethyl-5-oxo- |
| Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.161662848 u |
| Formula |
C25H25N3O3S |
| InChI |
InChI=1S/C25H25N3O3S/c1-25(2)11-19(29)23-20(12-25)31-24(27)18(13-26)22(23)17-8-7-16(30-3)10-15(17)14-32-21-6-4-5-9-28-21/h4-10,22H,11-12,14,27H2,1-3H3 |
| InChIKey |
IWHHTWROPUTHCR-UHFFFAOYSA-N |
| Molecular Weight |
447.553 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_5788 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9241568; Lab Info: L-19; Lab Number: L-19,Rozhkov |
![4H-1-benzopyran-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-4-[4-methoxy-2-[(2-pyridinylthio)methyl]phenyl]-7,7-dimethyl-5-oxo-](/api/spectrum/CsIs1rRrAa0/structure.png?h=300&w=458 "4H-1-benzopyran-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-4-[4-methoxy-2-[(2-pyridinylthio)methyl]phenyl]-7,7-dimethyl-5-oxo-")
