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4a-Acetylhexahydro-4H-1,3-benzodioxin-4-one

View entire compound with spectra: 2 MS (GC)

4a-Acetylhexahydro-4H-1,3-benzodioxin-4-one
SpectraBase Compound ID 86DZjlqmhzn
InChI InChI=1S/C10H14O4/c1-7(11)10-5-3-2-4-8(10)13-6-14-9(10)12/h8H,2-6H2,1H3
InChIKey AHESSEWSYBMAKS-UHFFFAOYSA-N
Mol Weight 198.22 g/mol
Molecular Formula C10H14O4
Exact Mass 198.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBOZRQgWTJp
Name 4a-Acetylhexahydro-4H-1,3-benzodioxin-4-one
Alternate Name(s) 4a-acetyl-6,7,8,8a-tetrahydro-5H-benzo[d][1,3]dioxin-4-one 4a-ethanoyl-6,7,8,8a-tetrahydro-5H-benzo[d][1,3]dioxin-4-one
CAS Registry Number 124899-03-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-7(11)10-5-3-2-4-8(10)13-6-14-9(10)12/h8H,2-6H2,1H3
InChIKey AHESSEWSYBMAKS-UHFFFAOYSA-N
Molecular Weight 198.218 g/mol
SMILES C1C2OCOC(C2(CCC1)C(=O)C)=O
SPLASH splash10-057l-9400000000-138444c6863bd89ab186
Wiley ID 1482852