| SpectraBase Spectrum ID |
6Jr9M0aQxEM |
| Name |
5-(3,4-Dihydroxy-5-methylphenyl)-2,2-dimethyl-5-phenyl-1,3-dioxane-4,6-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.110338294 u |
| Formula |
C19H18O6 |
| InChI |
InChI=1S/C19H18O6/c1-11-9-13(10-14(20)15(11)21)19(12-7-5-4-6-8-12)16(22)24-18(2,3)25-17(19)23/h4-10,20-21H,1-3H3 |
| InChIKey |
XWWIHLBXHBTQDG-UHFFFAOYSA-N |
| Molecular Weight |
342.347 g/mol |
| SMILES |
C1(C(OC(OC1=O)(C)C)=O)(C=1C=C(O)C(=C(C1)C)O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920275 |
