SpectraBase Compound ID | 1EhLWwJFAMo |
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InChI | InChI=1S/C25H29N3O3S/c1-3-31-20-14-13-18(15-21(20)30-2)24-27-23(17-9-5-4-6-10-17)25(28-24)32-16-22(29)26-19-11-7-8-12-19/h4-6,9-10,13-15,19H,3,7-8,11-12,16H2,1-2H3,(H,26,29)(H,27,28) |
InChIKey | ZXKWQFKLTHVTNA-UHFFFAOYSA-N |
Mol Weight | 451.59 g/mol |
Molecular Formula | C25H29N3O3S |
Exact Mass | 451.192963 g/mol |
SpectraBase Spectrum ID | 3shBChx4k2r |
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Name | acetamide, N-cyclopentyl-2-[[2-(4-ethoxy-3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]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 | 451.192962977 u |
Formula | C25H29N3O3S |
InChI | InChI=1S/C25H29N3O3S/c1-3-31-20-14-13-18(15-21(20)30-2)24-27-23(17-9-5-4-6-10-17)25(28-24)32-16-22(29)26-19-11-7-8-12-19/h4-6,9-10,13-15,19H,3,7-8,11-12,16H2,1-2H3,(H,26,29)(H,27,28) |
InChIKey | ZXKWQFKLTHVTNA-UHFFFAOYSA-N |
Molecular Weight | 451.585 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2021_877 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/13239362 |