| SpectraBase Spectrum ID |
LkmXAubwEuI |
| Name |
1-[2',3'-Dihydro-3',5'-dihydroxy-3'-(1''-(hydroxymethyl)ethenyl)-[1]-benzofuran-6'-yl]-ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.084123546 u |
| Formula |
C13H14O5 |
| InChI |
InChI=1S/C13H14O5/c1-7(5-14)13(17)6-18-12-3-9(8(2)15)11(16)4-10(12)13/h3-4,14,16-17H,1,5-6H2,2H3 |
| InChIKey |
MLSNTSVOEPOVLB-UHFFFAOYSA-N |
| Molecular Weight |
250.250 g/mol |
| SMILES |
C=12C(C(=C)CO)(COC2=CC(=C(C1)O)C(=O)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821874 |
![1-[2',3'-Dihydro-3',5'-dihydroxy-3'-(1"-(hydroxymethyl)ethenyl)-[1]-benzofuran-6'-yl]-ethanone](/api/spectrum/LkmXAubwEuI/structure.png?h=300&w=458 "1-[2',3'-Dihydro-3',5'-dihydroxy-3'-(1\"-(hydroxymethyl)ethenyl)-[1]-benzofuran-6'-yl]-ethanone")
