| SpectraBase Spectrum ID |
BW3HD4PLYzA |
| Name |
Methyl rel-(1R,2aR,8bR)-3-Oxo-1-phenyl-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-2a-carboxylate |
| Alternate Name(s) |
methyl (1R,2aR,8bR)-3-oxo-1-phenyl-1,8b-dihydro-2H-cyclobuta[c]chromene-2a(3H)-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H16O4 |
| InChI |
InChI=1S/C19H16O4/c1-22-17(20)19-11-14(12-7-3-2-4-8-12)16(19)13-9-5-6-10-15(13)23-18(19)21/h2-10,14,16H,11H2,1H3/t14-,16-,19+/m0/s1 |
| InChIKey |
ZQHPYTSAXWOLDM-URLQWDBASA-N |
| Molecular Weight |
308.333 g/mol |
| SMILES |
c12c([C@@]3([C@](C(O2)=O)(C[C@]3(c2ccccc2)[H])C(=O)OC)[H])cccc1 |
| SPLASH |
splash10-0udi-0900000000-e6028c77d2a2d4256a18 |
| Source of Spectrum |
O1-65-2424-2 |
| Wiley ID |
1593275 |
![Methyl rel-(1R,2aR,8bR)-3-Oxo-1-phenyl-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-2a-carboxylate](/api/spectrum/BW3HD4PLYzA/structure.png?h=300&w=458 "Methyl rel-(1R,2aR,8bR)-3-Oxo-1-phenyl-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-2a-carboxylate")
