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 |
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 |