| SpectraBase Spectrum ID |
9nDIGS66KYt |
| Name |
rel-(2aR,8bR)-2a,8b-Dihydro-2a-isobutyryl-1-phenyl-3H-benzo[b]cyclobuta[d]pyran-3-one |
| Alternate Name(s) |
(2aR,8bR)-2a-isobutyryl-1-phenyl-2a,8b-dihydro-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 |
C21H18O3 |
| InChI |
InChI=1S/C21H18O3/c1-13(2)19(22)21-12-16(14-8-4-3-5-9-14)18(21)15-10-6-7-11-17(15)24-20(21)23/h3-13,18H,1-2H3/t18-,21+/m0/s1 |
| InChIKey |
CJXKKYVUOQTNKA-GHTZIAJQSA-N |
| Molecular Weight |
318.372 g/mol |
| SMILES |
c12c([C@@]3([C@](C(O2)=O)(C=C3c2ccccc2)C(=O)C(C)C)[H])cccc1 |
| SPLASH |
splash10-0002-0090000000-294037ca9df97ea67045 |
| Source of Spectrum |
O1-65-2428-5 |
| Wiley ID |
1593262 |
![rel-(2aR,8bR)-2a,8b-Dihydro-2a-isobutyryl-1-phenyl-3H-benzo[b]cyclobuta[d]pyran-3-one](/api/spectrum/9nDIGS66KYt/structure.png?h=300&w=458 "rel-(2aR,8bR)-2a,8b-Dihydro-2a-isobutyryl-1-phenyl-3H-benzo[b]cyclobuta[d]pyran-3-one")
