| SpectraBase Compound ID | NbvylXFthc |
|---|---|
| InChI | InChI=1S/C16H22N2O7/c1-24-15-12(14(22)13(21)11(8-19)25-15)18-16(23)17-7-10(20)9-5-3-2-4-6-9/h2-6,11-15,19,21-22H,7-8H2,1H3,(H2,17,18,23)/t11-,12-,13-,14-,15-/m1/s1 |
| InChIKey | OOUUVTXGZQFCOL-KJWHEZOQSA-N |
| Mol Weight | 354.36 g/mol |
| Molecular Formula | C16H22N2O7 |
| Exact Mass | 354.142701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EWsIIoLM3NQ |
|---|---|
| Name | Methyl N-hippuroyl-beta-D-glucosaminide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.142701049 u |
| Formula | C16H22N2O7 |
| InChI | InChI=1S/C16H22N2O7/c1-24-15-12(14(22)13(21)11(8-19)25-15)18-16(23)17-7-10(20)9-5-3-2-4-6-9/h2-6,11-15,19,21-22H,7-8H2,1H3,(H2,17,18,23)/t11-,12-,13-,14-,15-/m1/s1 |
| InChIKey | OOUUVTXGZQFCOL-KJWHEZOQSA-N |
| Molecular Weight | 354.359 g/mol |
| SMILES | [C@@]1([C@](O[C@]([C@@]([C@]1(O)[H])(NC(NCC(C1=CC=CC=C1)=O)=O)[H])(OC)[H])(CO)[H])(O)[H] |