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(3aS,8aR)-2,2-Dimethyl-tetrahydro-[1,3]dioxolo[4,5-b]oxepin-5-one

View entire compound with spectra: 1 MS (GC)

(3aS,8aR)-2,2-Dimethyl-tetrahydro-[1,3]dioxolo[4,5-b]oxepin-5-one
SpectraBase Compound ID 8rac4L3i3xT
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
Mol Weight 186.21 g/mol
Molecular Formula C9H14O4
Exact Mass 186.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EH1gZ1FH0pD
Name (3aS,8aR)-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
Synonyms (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
Wiley ID 839289