SpectraBase Spectrum ID |
JzytzN5ydhX |
Name |
2,3-di-o-Acetyl-1,4-anhydro-5-o-methyl-L-fucitol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
246.110338294 u |
Formula |
C11H18O6 |
InChI |
InChI=1S/C11H18O6/c1-6(14-4)10-11(17-8(3)13)9(5-15-10)16-7(2)12/h6,9-11H,5H2,1-4H3/t6-,9-,10+,11-/m0/s1 |
InChIKey |
HZYGGBFYNBEJCR-HTCUVTCBSA-N |
Molecular Weight |
246.259 g/mol |
SMILES |
[C@]1(OC[C@@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])([C@](C)(OC)[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961751 |