| SpectraBase Spectrum ID |
1xSFUMxJ1pV |
| Name |
2-Furyl-(4-benzyl-5-methyl-2-phenyl-1,3-trans-dioxaolanyl)methanol isomer |
| Comments |
Note: The molecular formula of the structure shown is C22H22O4 - which differs from the formula reported for the mass spectrum (C22H28O4) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28O4 |
| InChI |
InChI=1S/C22H22O4/c1-16-20(15-17-9-4-2-5-10-17)26-22(25-16,18-11-6-3-7-12-18)21(23)19-13-8-14-24-19/h2-14,16,20-21,23H,15H2,1H3/t16?,20-,21?,22-/m0/s1 |
| InChIKey |
NBSUEWREFXTEET-QLBBVQTRSA-N |
| Molecular Weight |
350.414 g/mol |
| SMILES |
OC([C@]1(OC([C@@](O1)(Cc1ccccc1)[H])C)c1ccccc1)c1occc1 |
| SPLASH |
splash10-0a6v-7910000000-a271359e49b1065b95cc |
| Source of Spectrum |
SO-0-1759-12 |
| Wiley ID |
878244 |
