| SpectraBase Compound ID | DjHAE2TGyA |
|---|---|
| InChI | InChI=1S/C18H27NO13/c1-2-29-16-7(9(23)11(16)25)19-17-13(27)12(26)15(6(4-21)30-17)32-18-14(28)10(24)8(22)5(3-20)31-18/h5-6,8,10,12-15,17-22,24,26-28H,2-4H2,1H3/t5-,6+,8+,10+,12+,13+,14-,15+,17+,18+/m0/s1 |
| InChIKey | DEJTUHYDBJMSNR-VTXFIFFJSA-N |
| Mol Weight | 465.41 g/mol |
| Molecular Formula | C18H27NO13 |
| Exact Mass | 465.14824 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 60pxqKUNQkW |
|---|---|
| Name | LACTOSE-SQUARIC-ACID-CONJUGATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H27NO13 |
| InChI | InChI=1S/C18H27NO13/c1-2-29-16-7(9(23)11(16)25)19-17-13(27)12(26)15(6(4-21)30-17)32-18-14(28)10(24)8(22)5(3-20)31-18/h5-6,8,10,12-15,17-22,24,26-28H,2-4H2,1H3/t5-,6+,8+,10+,12+,13+,14-,15+,17+,18+/m0/s1 |
| InChIKey | DEJTUHYDBJMSNR-VTXFIFFJSA-N |
| Literature Reference Author | O.BLIXT,T.NORBERG |
| Literature Reference Citation | CARBOHYDR.RES.,319,80(1999) |
| Literature Reference DOI | 10.1016/S0008-6215(99)00135-4 |
| Molecular Weight | 465.411 g/mol |
| Solvent | D2O |
| Source File Reference | UWRU5104 |