SpectraBase Compound ID | EM2ykPbHsMg |
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InChI | InChI=1S/C21H28N4O3S/c1-14-20(15(2)24-23-14)29(27,28)25-12-10-17(11-13-25)21(26)22-19-9-5-7-16-6-3-4-8-18(16)19/h3-4,6,8,17,19H,5,7,9-13H2,1-2H3,(H,22,26)(H,23,24) |
InChIKey | GXCRYIFLQZDYHL-UHFFFAOYSA-N |
Mol Weight | 416.54 g/mol |
Molecular Formula | C21H28N4O3S |
Exact Mass | 416.188212 g/mol |
SpectraBase Spectrum ID | BmDp1xvrNls |
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Name | 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(1,2,3,4-tetrahydro-1-naphthalenyl)-4-piperidinecarboxamide |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 416.188211949 u |
Formula | C21H28N4O3S |
InChI | InChI=1S/C21H28N4O3S/c1-14-20(15(2)24-23-14)29(27,28)25-12-10-17(11-13-25)21(26)22-19-9-5-7-16-6-3-4-8-18(16)19/h3-4,6,8,17,19H,5,7,9-13H2,1-2H3,(H,22,26)(H,23,24) |
InChIKey | GXCRYIFLQZDYHL-UHFFFAOYSA-N |
Molecular Weight | 416.540 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_4585 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12309584 |