| SpectraBase Spectrum ID |
BAYqwr9443j |
| Name |
1,3-Dioxane-5-acetaldehyde, 4-(1,3-benzodioxol-5-yl)-2-phenyl-, (2.alpha.,4.alpha.,5.alpha.)-(.+-.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.115423675 u |
| Formula |
C19H18O5 |
| InChI |
InChI=1S/C19H18O5/c20-9-8-15-11-21-19(13-4-2-1-3-5-13)24-18(15)14-6-7-16-17(10-14)23-12-22-16/h1-7,9-10,15,18-19H,8,11-12H2/t15-,18-,19+/m1/s1 |
| InChIKey |
XRFSCRPGXSADTO-LZQZEXGQSA-N |
| Molecular Weight |
326.348 g/mol |
| SMILES |
[C@]1(O[C@](OC[C@]1(CC=O)[H])(C1=CC=CC=C1)[H])(C=1C=C2OCOC2=CC1)[H] |
