| SpectraBase Spectrum ID |
19ZR503OKZO |
| Name |
3,8-Dioxatricyclo[3.2.1.02,4]octan-6-one, (1.alpha.,2.beta.,4.beta.,5.alpha.)-(.+-.)- |
| Alternate Name(s) |
(1RS,4RS,5RS,6RS)-5,6-exo-epoxy-7-oxabicyclo[2.2.1]heptan-2-one
(1S,2R,4R,5S)-3,8-dioxatricyclo[3.2.1.0(2,4)]octan-6-one |
| CAS Registry Number |
115185-21-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C6H6O3 |
| InChI |
InChI=1S/C6H6O3/c7-2-1-3-5-6(9-5)4(2)8-3/h3-6H,1H2/t3-,4+,5+,6-/m0/s1 |
| InChIKey |
ZHLTWTLPLRCHHK-KCDKBNATSA-N |
| Molecular Weight |
126.111 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3([H])O[C@@]2(C(C3)=O)[H])([H])O1)[H] |
| SPLASH |
splash10-0002-9000000000-49e23b30224864031aad |
| Source of Spectrum |
H-70-1711-6 |
| Wiley ID |
1129728 |
![3,8-Dioxatricyclo[3.2.1.02,4]octan-6-one, (1.alpha.,2.beta.,4.beta.,5.alpha.)-(.+-.)-](/api/spectrum/19ZR503OKZO/structure.png?h=300&w=458 "3,8-Dioxatricyclo[3.2.1.02,4]octan-6-one, (1.alpha.,2.beta.,4.beta.,5.alpha.)-(.+-.)-")
