| SpectraBase Compound ID | 7Lgv0cyStHf |
|---|---|
| InChI | InChI=1S/C16H21NO6/c1-2-8-21-16-12(19)11(18)13(14(23-16)15(17)20)22-9-10-6-4-3-5-7-10/h2-7,11-14,16,18-19H,1,8-9H2,(H2,17,20)/t11-,12-,13-,14-,16-/m1/s1 |
| InChIKey | GRQHNLJYIOENME-UTGUJQJDSA-N |
| Mol Weight | 323.35 g/mol |
| Molecular Formula | C16H21NO6 |
| Exact Mass | 323.136887 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 14QTgGmy3rX |
|---|---|
| Name | Allyl 4-o-benzyl-.beta.,D-glucofuranosiduronamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.136887394 u |
| Formula | C16H21NO6 |
| InChI | InChI=1S/C16H21NO6/c1-2-8-21-16-12(19)11(18)13(14(23-16)15(17)20)22-9-10-6-4-3-5-7-10/h2-7,11-14,16,18-19H,1,8-9H2,(H2,17,20)/t11-,12-,13-,14-,16-/m1/s1 |
| InChIKey | GRQHNLJYIOENME-UTGUJQJDSA-N |
| Molecular Weight | 323.345 g/mol |
| SMILES | [C@]1([C@@]([C@](O)([C@]([C@@](O1)(OCC=C)[H])(O)[H])[H])(OCC=1C=CC=CC1)[H])(C(=O)N)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95405 |