| SpectraBase Spectrum ID |
1MK4qr0Zae |
| Name |
3-[(2,6-Dihydroxy-3,4-dimethylphenyl)methyl]-2,4-dihydroxy-6-methylbenzaldehyde, 4ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
470.157682408 u |
| Formula |
C25H26O9 |
| InChI |
InChI=1S/C25H26O9/c1-12-8-22(31-15(4)27)19(24(14(12)3)33-17(6)29)10-20-23(32-16(5)28)9-13(2)21(11-26)25(20)34-18(7)30/h8-9,11H,10H2,1-7H3 |
| InChIKey |
JRPZQVOXWONFER-UHFFFAOYSA-N |
| Molecular Weight |
470.474 g/mol |
| SMILES |
C(C1=C(C(=C(C=C1C)OC(=O)C)CC1=C(C(=C(C=C1OC(=O)C)C)C)OC(=O)C)OC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952218 |
![3-[(2,6-Dihydroxy-3,4-dimethylphenyl)methyl]-2,4-dihydroxy-6-methylbenzaldehyde, 4ac derivative](/api/spectrum/1MK4qr0Zae/structure.png?h=300&w=458 "3-[(2,6-Dihydroxy-3,4-dimethylphenyl)methyl]-2,4-dihydroxy-6-methylbenzaldehyde, 4ac derivative")
