| SpectraBase Spectrum ID |
DL7OqXP7uIc |
| Name |
dl-Trans-2-acetoxy-1-benzoyloxymethyl-3-[(E)-cinnamoyloxy]-4,6-cyclohexadiene |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.141638422 u |
| Formula |
C25H22O6 |
| InChI |
InChI=1S/C25H22O6/c1-18(26)30-24-21(17-29-25(28)20-11-6-3-7-12-20)13-8-14-22(24)31-23(27)16-15-19-9-4-2-5-10-19/h2-16,22,24H,17H2,1H3/b16-15+/t22-,24-/m0/s1 |
| InChIKey |
VOEKMRNHMYZLBI-PHTIFGKJSA-N |
| Molecular Weight |
418.445 g/mol |
| SMILES |
C=1([C@@]([C@@](OC(\C=C\C=2C=CC=CC2)=O)(C=CC1)[H])(OC(=O)C)[H])COC(=O)C1=CC=CC=C1 |
![dl-Trans-2-acetoxy-1-benzoyloxymethyl-3-[(E)-cinnamoyloxy]-4,6-cyclohexadiene](/api/spectrum/DL7OqXP7uIc/structure.png?h=300&w=458 "dl-Trans-2-acetoxy-1-benzoyloxymethyl-3-[(E)-cinnamoyloxy]-4,6-cyclohexadiene")
