| SpectraBase Spectrum ID |
A2hZJmVVqJJ |
| Name |
rel-(1R,2aS,8bS)-2a-(4-Methoxybenzoyl)-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 |
C25H20O4 |
| InChI |
InChI=1S/C25H20O4/c1-28-18-13-11-17(12-14-18)23(26)25-15-20(16-7-3-2-4-8-16)22(25)19-9-5-6-10-21(19)29-24(25)27/h2-14,20,22H,15H2,1H3/t20-,22+,25-/m0/s1 |
| InChIKey |
HMIBLPNXYWKGDJ-HOKHCIIBSA-N |
| Molecular Weight |
384.431 g/mol |
| SMILES |
c12c([C@]3([C@@](C(O2)=O)(C[C@]3(c2ccccc2)[H])C(c2ccc(cc2)OC)=O)[H])cccc1 |
| SPLASH |
splash10-001i-0090000000-75e81416a028d56932ea |
| Source of Spectrum |
O1-65-2421-3 |
| Synonyms |
(1R,2aS,8bS)-2a-(4-methoxybenzoyl)-1-phenyl-1,2,2a,8b-tetrahydro-3H-cyclobuta[c]chromen-3-one |
| Wiley ID |
1593279 |
![rel-(1R,2aS,8bS)-2a-(4-Methoxybenzoyl)-1-(phenyl)-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one](/api/spectrum/A2hZJmVVqJJ/structure.png?h=300&w=458 "rel-(1R,2aS,8bS)-2a-(4-Methoxybenzoyl)-1-(phenyl)-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one")
