SpectraBase Spectrum ID |
BGTLlu2N9GF |
Name |
1,4-Anhydro-2,3,5-tri-o-methyl-L-fucitol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
190.120509056 u |
Formula |
C9H18O4 |
InChI |
InChI=1S/C9H18O4/c1-6(10-2)8-9(12-4)7(11-3)5-13-8/h6-9H,5H2,1-4H3/t6-,7-,8+,9-/m0/s1 |
InChIKey |
VYYXUPGWUOGQQX-MAUMQABQSA-N |
Molecular Weight |
190.239 g/mol |
SMILES |
[C@]1(OC[C@@]([C@@]1(OC)[H])(OC)[H])([C@](C)(OC)[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957332 |