| SpectraBase Spectrum ID |
4O1ZqGXhpU2 |
| Name |
rel-(1R,2aS,8bS)-2a-(4-Fluorobenzoyl)-1-phenyl-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H17FO3 |
| InChI |
InChI=1S/C24H17FO3/c25-17-12-10-16(11-13-17)22(26)24-14-19(15-6-2-1-3-7-15)21(24)18-8-4-5-9-20(18)28-23(24)27/h1-13,19,21H,14H2/t19-,21+,24-/m0/s1 |
| InChIKey |
MNBXQRXNRKJPHY-LEEZEASISA-N |
| Molecular Weight |
372.395 g/mol |
| SMILES |
c12c([C@]3([C@@](C(O2)=O)(C[C@]3(c2ccccc2)[H])C(c2ccc(cc2)F)=O)[H])cccc1 |
| SPLASH |
splash10-0udi-0900000000-aed72dd96136f15289f8 |
| Source of Spectrum |
O1-65-2419-3 |
| Synonyms |
(1R,2aS,8bS)-2a-(4-fluorobenzoyl)-1-phenyl-1,2,2a,8b-tetrahydro-3H-cyclobuta[c]chromen-3-one |
| Wiley ID |
1593283 |
![rel-(1R,2aS,8bS)-2a-(4-Fluorobenzoyl)-1-phenyl-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one](/api/spectrum/4O1ZqGXhpU2/structure.png?h=300&w=458 "rel-(1R,2aS,8bS)-2a-(4-Fluorobenzoyl)-1-phenyl-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one")
