SpectraBase Spectrum ID |
2Ggmi50vWjp |
Name |
rel-(1R,2aR,8bR)-2a-(4-Fluorobenzoyl)-1-phenyl-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one |
Alternate Name(s) |
(1R,2aR,8bR)-2a-(4-fluorobenzoyl)-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 |
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-ZCVJKFOLSA-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 |
O1-65-2419-2 |
Wiley ID |
1593284 |