| SpectraBase Spectrum ID |
9WGcFeH06XE |
| Name |
4-pyrimidinol, 6-[[(4-chlorophenyl)thio]methyl]-2-[[2-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-2-oxoethyl]thio]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
519.084197006 u |
| Formula |
C27H22ClN3O2S2 |
| InChI |
InChI=1S/C27H22ClN3O2S2/c28-20-11-13-22(14-12-20)34-16-21-15-25(32)30-27(29-21)35-17-26(33)31-23-7-3-1-5-18(23)9-10-19-6-2-4-8-24(19)31/h1-8,11-15H,9-10,16-17H2,(H,29,30,32) |
| InChIKey |
KSJBTVLLXPIOAA-UHFFFAOYSA-N |
| Molecular Weight |
520.065 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_15554 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10035445; Lab Info: VGY; Lab Number: VGY-0013784 |
![4-pyrimidinol, 6-[[(4-chlorophenyl)thio]methyl]-2-[[2-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-2-oxoethyl]thio]-](/api/spectrum/9WGcFeH06XE/structure.png?h=300&w=458 "4-pyrimidinol, 6-[[(4-chlorophenyl)thio]methyl]-2-[[2-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-2-oxoethyl]thio]-")
