SpectraBase Compound ID | 3QyFXlzJq5k |
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InChI | InChI=1S/C31H37N5O3S/c37-30(23-8-7-17-36(22-23)40(38,39)35-15-5-6-16-35)34-18-13-31(14-19-34,26-20-32-28-11-3-1-9-24(26)28)27-21-33-29-12-4-2-10-25(27)29/h1-4,9-12,20-21,23,32-33H,5-8,13-19,22H2 |
InChIKey | HWWQBYMXDLDOOZ-UHFFFAOYSA-N |
Mol Weight | 559.7 g/mol |
Molecular Formula | C31H37N5O3S |
Exact Mass | 559.261711 g/mol |
SpectraBase Spectrum ID | Ady9fsfuC84 |
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Name | 1H-indole, 3-[4-(1H-indol-3-yl)-1-[[1-(1-pyrrolidinylsulfonyl)-3-piperidinyl]carbonyl]-4-piperidinyl]- |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 559.261711242 u |
Formula | C31H37N5O3S |
InChI | InChI=1S/C31H37N5O3S/c37-30(23-8-7-17-36(22-23)40(38,39)35-15-5-6-16-35)34-18-13-31(14-19-34,26-20-32-28-11-3-1-9-24(26)28)27-21-33-29-12-4-2-10-25(27)29/h1-4,9-12,20-21,23,32-33H,5-8,13-19,22H2 |
InChIKey | HWWQBYMXDLDOOZ-UHFFFAOYSA-N |
Molecular Weight | 559.729 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2021_6945 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12718501 |