| SpectraBase Spectrum ID |
TXD8ZxZTaF |
| Name |
(2E)-2-{3-[(2,6-Dimethylphenoxy)methyl]-4-methoxybenzylidene}-3,4-dihydro-1(2H)-naphthalenone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.188194694 u |
| Formula |
C27H26O3 |
| InChI |
InChI=1S/C27H26O3/c1-18-7-6-8-19(2)27(18)30-17-23-16-20(11-14-25(23)29-3)15-22-13-12-21-9-4-5-10-24(21)26(22)28/h4-11,14-16H,12-13,17H2,1-3H3/b22-15+ |
| InChIKey |
UMMCAMMPHREIFG-PXLXIMEGSA-N |
| Molecular Weight |
398.502 g/mol |
| SMILES |
C1(\C(CCC=2C=CC=CC12)=C\C=1C=C(COC2=C(C=CC=C2C)C)C(=CC1)OC)=O |
![(2E)-2-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzylidene}-3,4-dihydro-1(2H)-naphthalenone](/api/spectrum/TXD8ZxZTaF/structure.png?h=300&w=458 "(2E)-2-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzylidene}-3,4-dihydro-1(2H)-naphthalenone")
