SpectraBase Compound ID | IJaQsNwgYJS |
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InChI | InChI=1S/C22H35N3O4S/c1-4-16(3)20(25-21(26)18-9-5-15(2)6-10-18)22(27)24-14-13-17-7-11-19(12-8-17)30(23,28)29/h7-8,11-12,15-16,18,20H,4-6,9-10,13-14H2,1-3H3,(H,24,27)(H,25,26)(H2,23,28,29)/t15-,16?,18-,20? |
InChIKey | VVHISCRNPSCXBN-BIKIHBLESA-N |
Mol Weight | 437.6 g/mol |
Molecular Formula | C22H35N3O4S |
Exact Mass | 437.234828 g/mol |
SpectraBase Spectrum ID | 625TG7qV83g |
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Name | cyclohexanecarboxamide, N-[1-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]-2-methylbutyl]-4-methyl- |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 437.234827789 u |
Formula | C22H35N3O4S |
InChI | InChI=1S/C22H35N3O4S/c1-4-16(3)20(25-21(26)18-9-5-15(2)6-10-18)22(27)24-14-13-17-7-11-19(12-8-17)30(23,28)29/h7-8,11-12,15-16,18,20H,4-6,9-10,13-14H2,1-3H3,(H,24,27)(H,25,26)(H2,23,28,29)/t15-,16?,18-,20? |
InChIKey | VVHISCRNPSCXBN-BIKIHBLESA-N |
Molecular Weight | 437.599 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2021_4746 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/13288464 |