SpectraBase Spectrum ID |
23WseajAkgr |
Name |
5-o-Methylhoslundin |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
420.120902977 u |
Formula |
C24H20O7 |
InChI |
InChI=1S/C24H20O7/c1-13-23(28-3)22(26)15(12-30-13)20-18(27-2)11-19-21(24(20)29-4)16(25)10-17(31-19)14-8-6-5-7-9-14/h5-12H,1-4H3 |
InChIKey |
YZMKUGIAIUCXMP-UHFFFAOYSA-N |
Molecular Weight |
420.417 g/mol |
SMILES |
C=12OC(=CC(C2=C(C(C=2C(C(OC)=C(OC2)C)=O)=C(C1)OC)OC)=O)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905632 |