![({3-[(3,4-dimethylphenyl)sulfonyl]propanoyl}amino)acetic acid](/api/spectrum/Lr6pFH9vTc2/structure.png?h=300&w=458 "({3-[(3,4-dimethylphenyl)sulfonyl]propanoyl}amino)acetic acid")
| SpectraBase Compound ID | HG6zuNV8Thl |
|---|---|
| InChI | InChI=1S/C13H17NO5S/c1-9-3-4-11(7-10(9)2)20(18,19)6-5-12(15)14-8-13(16)17/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)(H,16,17) |
| InChIKey | DXCXPNRYTXXLHU-UHFFFAOYSA-N |
| Mol Weight | 299.34 g/mol |
| Molecular Formula | C13H17NO5S |
| Exact Mass | 299.082744 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | Lr6pFH9vTc2 |
|---|---|
| Name | ({3-[(3,4-dimethylphenyl)sulfonyl]propanoyl}amino)acetic 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 | 299.082743820 u |
| Formula | C13H17NO5S |
| InChI | InChI=1S/C13H17NO5S/c1-9-3-4-11(7-10(9)2)20(18,19)6-5-12(15)14-8-13(16)17/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)(H,16,17) |
| InChIKey | DXCXPNRYTXXLHU-UHFFFAOYSA-N |
| Molecular Weight | 299.341 g/mol |
| NMR Offset | 18.4067 |
| NMR Spectrometer Frequency | 500.137 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_9254 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13229096 |