SpectraBase Compound ID | B6ZfidyGMCl |
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InChI | InChI=1S/C16H16ClNO5S/c17-14-4-1-2-5-15(14)23-12-7-9-13(10-8-12)24(21,22)18-11-3-6-16(19)20/h1-2,4-5,7-10,18H,3,6,11H2,(H,19,20) |
InChIKey | RBYQSZQFNOAHMX-UHFFFAOYSA-N |
Mol Weight | 369.82 g/mol |
Molecular Formula | C16H16ClNO5S |
Exact Mass | 369.043771 g/mol |
SpectraBase Spectrum ID | 5UULG1zQcn1 |
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Name | 4-({[4-(2-chlorophenoxy)phenyl]sulfonyl}amino)butanoic acid |
Copyright | Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 369.043771488 u |
Formula | C16H16ClNO5S |
InChI | InChI=1S/C16H16ClNO5S/c17-14-4-1-2-5-15(14)23-12-7-9-13(10-8-12)24(21,22)18-11-3-6-16(19)20/h1-2,4-5,7-10,18H,3,6,11H2,(H,19,20) |
InChIKey | RBYQSZQFNOAHMX-UHFFFAOYSA-N |
Molecular Weight | 369.819 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_2667 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12279772 |