| SpectraBase Spectrum ID |
jk6nlboNcW |
| Name |
Homovanillyl alcohol 4-o-.beta.-D-glucopyranoside, pentamethyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.209717982 u |
| Formula |
C20H32O8 |
| InChI |
InChI=1S/C20H32O8/c1-21-10-9-13-7-8-14(15(11-13)23-3)27-20-19(26-6)18(25-5)17(24-4)16(28-20)12-22-2/h7-8,11,16-20H,9-10,12H2,1-6H3/t16-,17-,18+,19-,20-/m1/s1 |
| InChIKey |
FTAALMFEPHSSRF-OUUBHVDSSA-N |
| Molecular Weight |
400.468 g/mol |
| SMILES |
C(CC1=CC(OC)=C(C=C1)O[C@]1([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H])OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975524 |
