SpectraBase Spectrum ID |
KSE6KJnT2KW |
Name |
ethyl 7-(4-chlorophenyl)-5-methyl-2-[(2-naphthylmethyl)sulfanyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
490.123024869 u |
Formula |
C26H23ClN4O2S |
InChI |
InChI=1S/C26H23ClN4O2S/c1-3-33-24(32)22-16(2)28-25-29-26(30-31(25)23(22)19-10-12-21(27)13-11-19)34-15-17-8-9-18-6-4-5-7-20(18)14-17/h4-14,23H,3,15H2,1-2H3,(H,28,29,30) |
InChIKey |
CPRFOWUGPXJGCF-UHFFFAOYSA-N |
Molecular Weight |
491.009 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2020_6699 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12329025 |