| SpectraBase Spectrum ID |
8twkInBriYc |
| Name |
1-[3-Hydroxy-4-(3,4,5-trihydroxy-6-hydroxymethyltetrahydropyran-2-yloxy)phenyl]ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.115817596 u |
| Formula |
C14H20O8 |
| InChI |
InChI=1S/C14H20O8/c1-6(16)7-2-3-9(8(17)4-7)21-14-13(20)12(19)11(18)10(5-15)22-14/h2-4,6,10-20H,5H2,1H3 |
| InChIKey |
KXLLAISAGMELBI-UHFFFAOYSA-N |
| Molecular Weight |
316.306 g/mol |
| Nominal Mass |
316 u |
| SMILES |
OC1C(C(OC(Oc2ccc(C(O)C)cc2O)C1O)CO)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863363 |
![1-[3-Hydroxy-4-(3,4,5-trihydroxy-6-hydroxymethyltetrahydropyran-2-yloxy)phenyl]ethanone](/api/spectrum/8twkInBriYc/structure.png?h=300&w=458 "1-[3-Hydroxy-4-(3,4,5-trihydroxy-6-hydroxymethyltetrahydropyran-2-yloxy)phenyl]ethanone")
