![5-({[4-(2-methylphenoxy)phenyl]sulfonyl}amino)pentanoic acid](/api/spectrum/3WDmKRnLe5G/structure.png?h=300&w=458 "5-({[4-(2-methylphenoxy)phenyl]sulfonyl}amino)pentanoic acid")
| SpectraBase Compound ID | BhVBpAcOWJx |
|---|---|
| InChI | InChI=1S/C18H21NO5S/c1-14-6-2-3-7-17(14)24-15-9-11-16(12-10-15)25(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 | KKNJBFQYAATBEV-UHFFFAOYSA-N |
| Mol Weight | 363.43 g/mol |
| Molecular Formula | C18H21NO5S |
| Exact Mass | 363.114044 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 3WDmKRnLe5G |
|---|---|
| Name | 5-({[4-(2-methylphenoxy)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 | 363.114043949 u |
| Formula | C18H21NO5S |
| InChI | InChI=1S/C18H21NO5S/c1-14-6-2-3-7-17(14)24-15-9-11-16(12-10-15)25(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 | KKNJBFQYAATBEV-UHFFFAOYSA-N |
| Molecular Weight | 363.428 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_2651 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12279753 |