SpectraBase Compound ID | 1bRx4i4whry |
---|---|
InChI | InChI=1S/C19H20BrN3O4S3/c1-2-27-13-5-6-14-15(10-13)28-19(21-14)22-18(24)12-4-3-9-23(11-12)30(25,26)17-8-7-16(20)29-17/h5-8,10,12H,2-4,9,11H2,1H3,(H,21,22,24) |
InChIKey | WXXLTFJGUJETQW-UHFFFAOYSA-N |
Mol Weight | 530.47 g/mol |
Molecular Formula | C19H20BrN3O4S3 |
Exact Mass | 528.979933 g/mol |
SpectraBase Spectrum ID | 6MGjOl6w3Cy |
---|---|
Name | 1-[(5-bromo-2-thienyl)sulfonyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-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 | 528.979932654 u |
Formula | C19H20BrN3O4S3 |
InChI | InChI=1S/C19H20BrN3O4S3/c1-2-27-13-5-6-14-15(10-13)28-19(21-14)22-18(24)12-4-3-9-23(11-12)30(25,26)17-8-7-16(20)29-17/h5-8,10,12H,2-4,9,11H2,1H3,(H,21,22,24) |
InChIKey | WXXLTFJGUJETQW-UHFFFAOYSA-N |
Molecular Weight | 530.470 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_3019 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12288302 |