| SpectraBase Spectrum ID |
PZjbLLLnhI |
| Name |
(Z)-3-Hexenyl .beta.-glucopyranoside, 4ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.183897156 u |
| Formula |
C20H30O10 |
| InChI |
InChI=1S/C20H30O10/c1-6-7-8-9-10-25-20-19(29-15(5)24)18(28-14(4)23)17(27-13(3)22)16(30-20)11-26-12(2)21/h7-8,16-20H,6,9-11H2,1-5H3/b8-7-/t16-,17-,18+,19-,20-/m1/s1 |
| InChIKey |
OUMRXXRKHIERIV-OBTKVKAUSA-N |
| Molecular Weight |
430.450 g/mol |
| SMILES |
[C@@]1(OCC\C=C/CC)([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905284 |
