| SpectraBase Spectrum ID |
DbvqhCw8Yff |
| Name |
rel-(1R,2aS,8bS)-2a-(Benzoyl)-1-(4-bromophenyl)-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H17BrO3 |
| InChI |
InChI=1S/C24H17BrO3/c25-17-12-10-15(11-13-17)19-14-24(22(26)16-6-2-1-3-7-16)21(19)18-8-4-5-9-20(18)28-23(24)27/h1-13,19,21H,14H2/t19-,21+,24-/m0/s1 |
| InChIKey |
JQTREYZXHVGVJQ-LEEZEASISA-N |
| Molecular Weight |
433.301 g/mol |
| SMILES |
c12c([C@]3([C@@](C(O2)=O)(C[C@]3(c2ccc(cc2)Br)[H])C(c2ccccc2)=O)[H])cccc1 |
| SPLASH |
splash10-001i-0900000000-346d6f72eb7d1388fe4b |
| Source of Spectrum |
O1-65-2419-3 |
| Synonyms |
(1R,2aS,8bS)-2a-benzoyl-1-(4-bromophenyl)-1,2,2a,8b-tetrahydro-3H-cyclobuta[c]chromen-3-one |
| Wiley ID |
1593281 |
![rel-(1R,2aS,8bS)-2a-(Benzoyl)-1-(4-bromophenyl)-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one](/api/spectrum/DbvqhCw8Yff/structure.png?h=300&w=458 "rel-(1R,2aS,8bS)-2a-(Benzoyl)-1-(4-bromophenyl)-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one")
