| SpectraBase Spectrum ID |
CjiJ2tCcWa4 |
| Name |
3H-Benzo[b]cyclobuta[d]pyran-3-one, 1-(acetyloxy)-1,2,2a,8b-tetrahydro-8b-hydroxy-1-methyl-, (1.alpha.,2a.alpha.,8b.alpha.)-(.+-.)- |
| Alternate Name(s) |
(1S,2aR,8bR)-8b-hydroxy-1-methyl-3-oxo-1,2a,3,8b-tetrahydro-2H-cyclobuta[c]chromen-1-yl acetate |
| CAS Registry Number |
116864-10-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H14O5 |
| InChI |
InChI=1S/C14H14O5/c1-8(15)19-13(2)7-10-12(16)18-11-6-4-3-5-9(11)14(10,13)17/h3-6,10,17H,7H2,1-2H3/t10-,13-,14-/m0/s1 |
| InChIKey |
WTRHNAXGBIYPPL-BPNCWPANSA-N |
| Molecular Weight |
262.261 g/mol |
| SMILES |
O[C@@]12[C@](C(Oc3ccccc23)=O)(C[C@@]1(OC(=O)C)C)[H] |
| SPLASH |
splash10-03di-0900000000-3391b952a317a28873eb |
| Source of Spectrum |
J-53-5958-29 |
| Wiley ID |
1265672 |
![3H-Benzo[b]cyclobuta[d]pyran-3-one, 1-(acetyloxy)-1,2,2a,8b-tetrahydro-8b-hydroxy-1-methyl-, (1.alpha.,2a.alpha.,8b.alpha.)-(.+-.)-](/api/spectrum/CjiJ2tCcWa4/structure.png?h=300&w=458 "3H-Benzo[b]cyclobuta[d]pyran-3-one, 1-(acetyloxy)-1,2,2a,8b-tetrahydro-8b-hydroxy-1-methyl-, (1.alpha.,2a.alpha.,8b.alpha.)-(.+-.)-")
