| SpectraBase Compound ID | FkNSSOJCdVm |
|---|---|
| InChI | InChI=1S/C16H21NO8/c1-23-16-12(17-15(22)9-5-3-2-4-6-9)14(24-8-11(19)20)13(21)10(7-18)25-16/h2-6,10,12-14,16,18,21H,7-8H2,1H3,(H,17,22)(H,19,20)/t10-,12-,13-,14-,16-/m1/s1 |
| InChIKey | CQPGGXBUCOZSEM-VPOMQUIYSA-N |
| Mol Weight | 355.34 g/mol |
| Molecular Formula | C16H21NO8 |
| Exact Mass | 355.126717 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 94IbAMhc2Ay |
|---|---|
| Name | Methyl 2-benzamido-3-0-(carboxymethyl)-2-deoxy-beta-D-glucopyranoside |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.126716632 u |
| Formula | C16H21NO8 |
| InChI | InChI=1S/C16H21NO8/c1-23-16-12(17-15(22)9-5-3-2-4-6-9)14(24-8-11(19)20)13(21)10(7-18)25-16/h2-6,10,12-14,16,18,21H,7-8H2,1H3,(H,17,22)(H,19,20)/t10-,12-,13-,14-,16-/m1/s1 |
| InChIKey | CQPGGXBUCOZSEM-VPOMQUIYSA-N |
| Molecular Weight | 355.343 g/mol |
| SMILES | OC[C@]1(O[C@]([C@@]([C@@](OCC(=O)O)([C@@]1(O)[H])[H])(NC(C=1C=CC=CC1)=O)[H])(OC)[H])[H] |
| Spectrum/Structure Validation Score (Raman) | 0.959783 |