| SpectraBase Spectrum ID |
2c4IRaDOb8z |
| Name |
8-Acetyl-3,4-dihydro-2,2-dimethyl-5-hydroxy-6-(3',4'-dimethoxycinnamoyl)-2H-benzo[1,2-B]pyran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.172938551 u |
| Formula |
C24H26O6 |
| InChI |
InChI=1S/C24H26O6/c1-14(25)17-13-18(22(27)16-10-11-24(2,3)30-23(16)17)19(26)8-6-15-7-9-20(28-4)21(12-15)29-5/h6-9,12-13,27H,10-11H2,1-5H3/b8-6+ |
| InChIKey |
ORTZTUBOHCASPY-SOFGYWHQSA-N |
| Molecular Weight |
410.466 g/mol |
| SMILES |
C1=2C(=C(O)C(=CC2C(=O)C)C(\C=C\C=2C=C(OC)C(=CC2)OC)=O)CCC(O1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93552 |
![8-Acetyl-3,4-dihydro-2,2-dimethyl-5-hydroxy-6-(3',4'-dimethoxycinnamoyl)-2H-benzo[1,2-b]pyran](/api/spectrum/2c4IRaDOb8z/structure.png?h=300&w=458 "8-Acetyl-3,4-dihydro-2,2-dimethyl-5-hydroxy-6-(3',4'-dimethoxycinnamoyl)-2H-benzo[1,2-b]pyran")
