| SpectraBase Spectrum ID |
ACYvNk8GyYt |
| Name |
rel-(1R,2aR,8bR)-2a-(2,2-Dimethylpropionyl)-1-(phenyl)-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one |
| Alternate Name(s) |
(1R,2aR,8bR)-2a-(2,2-dimethylpropanoyl)-1-phenyl-1,2,2a,8b-tetrahydro-3H-cyclobuta[c]chromen-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H22O3 |
| InChI |
InChI=1S/C22H22O3/c1-21(2,3)19(23)22-13-16(14-9-5-4-6-10-14)18(22)15-11-7-8-12-17(15)25-20(22)24/h4-12,16,18H,13H2,1-3H3/t16-,18-,22+/m0/s1 |
| InChIKey |
PLTGOJNEVBPTFM-SGXKBVARSA-N |
| Molecular Weight |
334.415 g/mol |
| SMILES |
c12c([C@@]3([C@](C(O2)=O)(C[C@]3(c2ccccc2)[H])C(=O)C(C)(C)C)[H])cccc1 |
| SPLASH |
splash10-0udi-0900000000-62641c7bae01b77fba89 |
| Source of Spectrum |
O1-65-2423-2 |
| Wiley ID |
1593276 |
![rel-(1R,2aR,8bR)-2a-(2,2-Dimethylpropionyl)-1-(phenyl)-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one](/api/spectrum/ACYvNk8GyYt/structure.png?h=300&w=458 "rel-(1R,2aR,8bR)-2a-(2,2-Dimethylpropionyl)-1-(phenyl)-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one")
