![beta-2-Hydroxy-4-[2-(methylamino)ethyl]phenyl glucopyranosiduronic acid](/api/spectrum/LiFMIv8IJN4/structure.png?h=300&w=458 "beta-2-Hydroxy-4-[2-(methylamino)ethyl]phenyl glucopyranosiduronic acid")
| SpectraBase Compound ID | HwhxCUrUCuF |
|---|---|
| InChI | InChI=1S/C15H21NO8/c1-16-5-4-7-2-3-9(8(17)6-7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h2-3,6,10-13,15-20H,4-5H2,1H3,(H,21,22)/t10-,11-,12+,13-,15+/m0/s1 |
| InChIKey | FMMZIWPIVSAARM-DKBOKBLXSA-N |
| Mol Weight | 343.33 g/mol |
| Molecular Formula | C15H21NO8 |
| Exact Mass | 343.126717 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LiFMIv8IJN4 |
|---|---|
| Name | beta-2-Hydroxy-4-[2-(methylamino)ethyl]phenyl glucopyranosiduronic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.126716632 u |
| Formula | C15H21NO8 |
| InChI | InChI=1S/C15H21NO8/c1-16-5-4-7-2-3-9(8(17)6-7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h2-3,6,10-13,15-20H,4-5H2,1H3,(H,21,22)/t10-,11-,12+,13-,15+/m0/s1 |
| InChIKey | FMMZIWPIVSAARM-DKBOKBLXSA-N |
| SMILES | O[C@]1([C@@](O[C@](C(=O)O)([C@]([C@@]1(O)[H])(O)[H])[H])(OC=1C=CC(=CC1O)CCNC)[H])[H] |