| SpectraBase Spectrum ID |
EH1gZ1FH0pD |
| Name |
(3aS,8aR)-2,2-Dimethyl-tetrahydro-[1,3]dioxolo[4,5-b]oxepin-5-one |
| Alternate Name(s) |
(3aS,8aR)-2,2-dimethyltetrahydro[1,3]dioxolo[4,5-b]oxepin-5(3aH)-one
2,2-Dimethyl-tetrahydro-[1,3]dioxolo[4,5-b]oxepin-5-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H14O4 |
| InChI |
InChI=1S/C9H14O4/c1-9(2)12-6-4-3-5-7(10)11-8(6)13-9/h6,8H,3-5H2,1-2H3/t6-,8-/m1/s1 |
| InChIKey |
OEMXJLRJKJMLTF-HTRCEHHLSA-N |
| Molecular Weight |
186.207 g/mol |
| SMILES |
[C@@]12(OC(C)(C)O[C@@]2(CCCC(O1)=O)[H])[H] |
| SPLASH |
splash10-01p9-0900000000-2d42fdd33b9b0dc0e921 |
| Source of Spectrum |
F-55-11125-8 |
| Wiley ID |
839289 |
![(3aS,8aR)-2,2-Dimethyl-tetrahydro-[1,3]dioxolo[4,5-b]oxepin-5-one](/api/spectrum/EH1gZ1FH0pD/structure.png?h=300&w=458 "(3aS,8aR)-2,2-Dimethyl-tetrahydro-[1,3]dioxolo[4,5-b]oxepin-5-one")
