| SpectraBase Spectrum ID |
IcLeVMSaoZK |
| Name |
3-o-p-Cyanobenzyl-1,2:5,6-di-o-isopropylidene.alpha.,D-glucofuranose |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
375.168187523 u |
| Formula |
C20H25NO6 |
| InChI |
InChI=1S/C20H25NO6/c1-19(2)23-11-14(25-19)15-16(17-18(24-15)27-20(3,4)26-17)22-10-13-7-5-12(9-21)6-8-13/h5-8,14-18H,10-11H2,1-4H3/t14?,15-,16-,17?,18+/m1/s1 |
| InChIKey |
HKYKSNNMRNJFJZ-TVLITYMTSA-N |
| Molecular Weight |
375.421 g/mol |
| SMILES |
C12[C@@](O[C@@]([C@]2(OCC2=CC=C(C#N)C=C2)[H])(C2OC(C)(C)OC2)[H])(OC(O1)(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822189 |
