| SpectraBase Spectrum ID |
Ao9OEzWmIFv |
| Name |
1-Ethenylhexyl .beta.-D-glucopyranoside, 4me derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.235538809 u |
| Formula |
C18H34O6 |
| InChI |
InChI=1S/C18H34O6/c1-7-9-10-11-13(8-2)23-18-17(22-6)16(21-5)15(20-4)14(24-18)12-19-3/h8,13-18H,2,7,9-12H2,1,3-6H3/t13?,14-,15-,16+,17-,18-/m1/s1 |
| InChIKey |
LYZXKXVTBZOLMD-CWMPHREQSA-N |
| Molecular Weight |
346.464 g/mol |
| SMILES |
[C@@]1(OC(CCCCC)C=C)([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844108 |
