SpectraBase Spectrum ID |
EOb4qYlqAGE |
Name |
rel-(1R,2aS,8bS)-2a-Benzoyl-1-butyl-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one |
Alternate Name(s) |
(1R,2aS,8bS)-2a-benzoyl-1-butyl-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/c1-2-3-9-16-14-22(20(23)15-10-5-4-6-11-15)19(16)17-12-7-8-13-18(17)25-21(22)24/h4-8,10-13,16,19H,2-3,9,14H2,1H3/t16-,19+,22+/m1/s1 |
InChIKey |
HZSBTYFOSQLYKD-WVBUVRCRSA-N |
Molecular Weight |
334.415 g/mol |
SMILES |
c12c([C@]3([C@@](C(O2)=O)(C[C@]3(CCCC)[H])C(c2ccccc2)=O)[H])cccc1 |
SPLASH |
splash10-0a4i-0900000000-6f470bb21b945ddeaf10 |
Source of Spectrum |
O1-65-2425-3 |
Wiley ID |
1593272 |