| SpectraBase Spectrum ID |
9PYKtaDc4L5 |
| Name |
Methyl(phenyl 2,3,4-tri-o-acetyl-beta-D-glucopyranosid)uronate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.121296898 u |
| Formula |
C19H22O10 |
| InChI |
InChI=1S/C19H22O10/c1-10(20)25-14-15(26-11(2)21)17(27-12(3)22)19(29-16(14)18(23)24-4)28-13-8-6-5-7-9-13/h5-9,14-17,19H,1-4H3/t14-,15-,16-,17+,19+/m0/s1 |
| InChIKey |
DPOURUJDWVDSKO-YTGMWSOZSA-N |
| Molecular Weight |
410.375 g/mol |
| SMILES |
[C@@]1([C@]([C@](OC(C)=O)([C@]([C@@](O1)(OC1=CC=CC=C1)[H])(OC(C)=O)[H])[H])(OC(=O)C)[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981031 |
