![acetamide, 2-[[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-[2-[[2-oxo-2-[[(tetrahydro-2-](/api/spectrum/DSElQKiInJd/structure.png?h=300&w=458 "acetamide, 2-[[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-[2-[[2-oxo-2-[[(tetrahydro-2-")
| SpectraBase Compound ID | 3ZZFMxXtMXg |
|---|---|
| InChI | InChI=1S/C34H36N6O3S3/c1-34(2,3)23-13-11-22(12-14-23)31-38-39-32(40(31)25-8-5-4-6-9-25)44-21-30(42)36-24-15-16-27-28(18-24)46-33(37-27)45-20-29(41)35-19-26-10-7-17-43-26/h4-6,8-9,11-16,18,26H,7,10,17,19-21H2,1-3H3,(H,35,41)(H,36,42) |
| InChIKey | VJZWMYMNQXTSSR-UHFFFAOYSA-N |
| Mol Weight | 672.9 g/mol |
| Molecular Formula | C34H36N6O3S3 |
| Exact Mass | 672.201103 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | DSElQKiInJd |
|---|---|
| Name | acetamide, 2-[[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-[2-[[2-oxo-2-[[(tetrahydro-2- |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 672.201102562 u |
| Formula | C34H36N6O3S3 |
| InChI | InChI=1S/C34H36N6O3S3/c1-34(2,3)23-13-11-22(12-14-23)31-38-39-32(40(31)25-8-5-4-6-9-25)44-21-30(42)36-24-15-16-27-28(18-24)46-33(37-27)45-20-29(41)35-19-26-10-7-17-43-26/h4-6,8-9,11-16,18,26H,7,10,17,19-21H2,1-3H3,(H,35,41)(H,36,42) |
| InChIKey | VJZWMYMNQXTSSR-UHFFFAOYSA-N |
| Molecular Weight | 672.881 g/mol |
| NMR Offset | 18.0059 |
| NMR Spectrometer Frequency | 300.135 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2017_3521 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/8267379; Lab Info: LP; Lab Number: LP-0604919 |
| Temperature | 29.85 °C |