SpectraBase Compound ID | 3Mddbn7yf7M |
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InChI | InChI=1S/C25H24ClN3O3S/c26-19-12-10-18(11-13-19)17-29-21-14-16-33-23(21)24(31)28(25(29)32)15-6-2-5-9-22(30)27-20-7-3-1-4-8-20/h1,3-4,7-8,10-14,16H,2,5-6,9,15,17H2,(H,27,30) |
InChIKey | BVOWTKSQEGULMB-UHFFFAOYSA-N |
Mol Weight | 482.0 g/mol |
Molecular Formula | C25H24ClN3O3S |
Exact Mass | 481.122691 g/mol |
SpectraBase Spectrum ID | 9WP7NP4MjmR |
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Name | 6-(1-(4-chlorobenzyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-phenylhexanamide |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 481.122690516 u |
Formula | C25H24ClN3O3S |
InChI | InChI=1S/C25H24ClN3O3S/c26-19-12-10-18(11-13-19)17-29-21-14-16-33-23(21)24(31)28(25(29)32)15-6-2-5-9-22(30)27-20-7-3-1-4-8-20/h1,3-4,7-8,10-14,16H,2,5-6,9,15,17H2,(H,27,30) |
InChIKey | BVOWTKSQEGULMB-UHFFFAOYSA-N |
Molecular Weight | 481.998 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_6752 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12329097 |