| SpectraBase Spectrum ID |
6eduV3GMeUD |
| Name |
.beta.-D-Glucopyranoside, 4-(3-hydroxybutyl)phenyl, 5me derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.230453428 u |
| Formula |
C21H34O7 |
| InChI |
InChI=1S/C21H34O7/c1-14(23-3)7-8-15-9-11-16(12-10-15)27-21-20(26-6)19(25-5)18(24-4)17(28-21)13-22-2/h9-12,14,17-21H,7-8,13H2,1-6H3/t14?,17-,18-,19+,20-,21-/m1/s1 |
| InChIKey |
PZRSUNFQLIXDCE-XAXWTWDHSA-N |
| Molecular Weight |
398.496 g/mol |
| SMILES |
[C@@]1(OC2=CC=C(C=C2)CCC(C)OC)([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905796 |
