SpectraBase Compound ID | 4PPbUO2OE1q |
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InChI | InChI=1S/C18H21NO6S/c1-24-16-6-2-3-7-17(16)25-14-9-11-15(12-10-14)26(22,23)19-13-5-4-8-18(20)21/h2-3,6-7,9-12,19H,4-5,8,13H2,1H3,(H,20,21) |
InChIKey | IHCPNKJXDLJCDQ-UHFFFAOYSA-N |
Mol Weight | 379.43 g/mol |
Molecular Formula | C18H21NO6S |
Exact Mass | 379.108959 g/mol |
SpectraBase Spectrum ID | 28SR9fsqKvx |
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Name | 5-({[4-(2-methoxyphenoxy)phenyl]sulfonyl}amino)pentanoic 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 | 379.108958568 u |
Formula | C18H21NO6S |
InChI | InChI=1S/C18H21NO6S/c1-24-16-6-2-3-7-17(16)25-14-9-11-15(12-10-14)26(22,23)19-13-5-4-8-18(20)21/h2-3,6-7,9-12,19H,4-5,8,13H2,1H3,(H,20,21) |
InChIKey | IHCPNKJXDLJCDQ-UHFFFAOYSA-N |
Molecular Weight | 379.427 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_2657 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12279761 |