| SpectraBase Spectrum ID |
FfPIcGlUHNo |
| Name |
rel-(1R,2aR,8bR)-2a-Isobutyryl-1-(phenyl)-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one |
| Alternate Name(s) |
(1R,2aR,8bR)-2a-isobutyryl-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 |
C21H20O3 |
| InChI |
InChI=1S/C21H20O3/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/h3-11,13,16,18H,12H2,1-2H3/t16-,18-,21+/m0/s1 |
| InChIKey |
QBPHEILVHNWQKH-DJPFJPOOSA-N |
| Molecular Weight |
320.388 g/mol |
| SMILES |
c12c([C@@]3([C@](C(O2)=O)(C[C@]3(c2ccccc2)[H])C(=O)C(C)C)[H])cccc1 |
| SPLASH |
splash10-0udi-0900000000-9cd0e82b71539d06a5b6 |
| Source of Spectrum |
O1-65-2422-2 |
| Wiley ID |
1593277 |
![rel-(1R,2aR,8bR)-2a-Isobutyryl-1-(phenyl)-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one](/api/spectrum/FfPIcGlUHNo/structure.png?h=300&w=458 "rel-(1R,2aR,8bR)-2a-Isobutyryl-1-(phenyl)-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one")
