SpectraBase Compound ID | 69uuVLivF2q |
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InChI | InChI=1S/C18H20ClNO5S/c19-16-6-3-4-7-17(16)25-14-9-11-15(12-10-14)26(23,24)20-13-5-1-2-8-18(21)22/h3-4,6-7,9-12,20H,1-2,5,8,13H2,(H,21,22) |
InChIKey | PLAFMMPLOKGLCH-UHFFFAOYSA-N |
Mol Weight | 397.87 g/mol |
Molecular Formula | C18H20ClNO5S |
Exact Mass | 397.075072 g/mol |
SpectraBase Spectrum ID | CQaTUvQo7Bc |
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Name | 6-({[4-(2-chlorophenoxy)phenyl]sulfonyl}amino)hexanoic 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 | 397.075071617 u |
Formula | C18H20ClNO5S |
InChI | InChI=1S/C18H20ClNO5S/c19-16-6-3-4-7-17(16)25-14-9-11-15(12-10-14)26(23,24)20-13-5-1-2-8-18(21)22/h3-4,6-7,9-12,20H,1-2,5,8,13H2,(H,21,22) |
InChIKey | PLAFMMPLOKGLCH-UHFFFAOYSA-N |
Molecular Weight | 397.873 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_2669 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12279774 |