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3a-(2,2-Dimethoxyethyl)hexahydro-1,5-pentalenedione
SpectraBase Compound ID AU6WJi3YeLX
InChI InChI=1S/C12H18O4/c1-15-11(16-2)7-12-4-3-10(14)9(12)5-8(13)6-12/h9,11H,3-7H2,1-2H3
InChIKey VCBGLUUVCHNGDE-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4R1ldXvOAg3
Name 3a-(2,2-Dimethoxyethyl)hexahydro-1,5-pentalenedione
CAS Registry Number 98395-31-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-15-11(16-2)7-12-4-3-10(14)9(12)5-8(13)6-12/h9,11H,3-7H2,1-2H3
InChIKey VCBGLUUVCHNGDE-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES C12(CCC(=O)C2CC(C1)=O)CC(OC)OC
SPLASH splash10-004i-9100000000-dabff7a3c23ba803858e
Source of Spectrum HE-1986-482-0
Synonyms 3a-(2,2-dimethoxyethyl)-3,4,6,6a-tetrahydro-2H-pentalene-1,5-dione 3a-(2,2-dimethoxyethyl)-3,4,6,6a-tetrahydro-2H-pentalene-1,5-quinone Pentalene-1,5-dione, 3a-(2,2-dimethoxy)ethyl-hexahydro
Wiley ID 1227263