SpectraBase Compound ID | 1sWHbScCqEx |
---|---|
InChI | InChI=1S/C17H19NO5S/c1-13-5-2-3-6-16(13)23-14-8-10-15(11-9-14)24(21,22)18-12-4-7-17(19)20/h2-3,5-6,8-11,18H,4,7,12H2,1H3,(H,19,20) |
InChIKey | NGDRFVMLGQUPOV-UHFFFAOYSA-N |
Mol Weight | 349.4 g/mol |
Molecular Formula | C17H19NO5S |
Exact Mass | 349.098394 g/mol |
SpectraBase Spectrum ID | AUCZoMhAp58 |
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Name | 4-({[4-(2-methylphenoxy)phenyl]sulfonyl}amino)butanoic acid |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 349.098393885 u |
Formula | C17H19NO5S |
InChI | InChI=1S/C17H19NO5S/c1-13-5-2-3-6-16(13)23-14-8-10-15(11-9-14)24(21,22)18-12-4-7-17(19)20/h2-3,5-6,8-11,18H,4,7,12H2,1H3,(H,19,20) |
InChIKey | NGDRFVMLGQUPOV-UHFFFAOYSA-N |
Molecular Weight | 349.401 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_2650 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12279752 |