| SpectraBase Spectrum ID |
QNag6uMYwn |
| Name |
Ethyl rel-(1R,2aR,8bR)-1-Acetoxymethyl-1,2,2a,8b-tetrahydro-3-oxo-3H-benzo[b]cyclobuta[d]pyran-2a-carboxylate |
| Alternate Name(s) |
ethyl (1R,2aR,8bR)-1-[(acetyloxy)methyl]-3-oxo-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 |
C17H18O6 |
| InChI |
InChI=1S/C17H18O6/c1-3-21-15(19)17-8-11(9-22-10(2)18)14(17)12-6-4-5-7-13(12)23-16(17)20/h4-7,11,14H,3,8-9H2,1-2H3/t11-,14+,17+/m0/s1 |
| InChIKey |
XFBIQVHOKKIEHI-FABXCBLPSA-N |
| Molecular Weight |
318.325 g/mol |
| SMILES |
c12c([C@@]3([C@](C(O2)=O)(C[C@]3(COC(=O)C)[H])C(=O)OCC)[H])cccc1 |
| SPLASH |
splash10-0002-0900000000-d700339abe8f167ec69a |
| Source of Spectrum |
O1-65-2426-2 |
| Wiley ID |
1593267 |
![Ethyl rel-(1R,2aR,8bR)-1-Acetoxymethyl-1,2,2a,8b-tetrahydro-3-oxo-3H-benzo[b]cyclobuta[d]pyran-2a-carboxylate](/api/spectrum/QNag6uMYwn/structure.png?h=300&w=458 "Ethyl rel-(1R,2aR,8bR)-1-Acetoxymethyl-1,2,2a,8b-tetrahydro-3-oxo-3H-benzo[b]cyclobuta[d]pyran-2a-carboxylate")
