| SpectraBase Spectrum ID |
KjmLSCZZnMj |
| Name |
4-(4-Methylphenyl)-7-methyl-3,4-dihydro-pyrano[4,3-B]pyran-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.089208927 u |
| Formula |
C16H14O4 |
| InChI |
InChI=1S/C16H14O4/c1-9-3-5-11(6-4-9)12-8-14(17)20-13-7-10(2)19-16(18)15(12)13/h3-7,12H,8H2,1-2H3 |
| InChIKey |
WAQVQVJYSNMXTR-UHFFFAOYSA-N |
| SMILES |
C12=C(C(CC(O2)=O)C=2C=CC(=CC2)C)C(OC(=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912172 |
![4-(4-Methylphenyl)-7-methyl-3,4-dihydro-pyrano[4,3-b]pyran-2,5-dione](/api/spectrum/KjmLSCZZnMj/structure.png?h=300&w=458 "4-(4-Methylphenyl)-7-methyl-3,4-dihydro-pyrano[4,3-b]pyran-2,5-dione")
