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6-Butyl-2,3,3a,4-tetrahydro-4-methylenepentalene-1,5-dione
SpectraBase Compound ID 9Gk0B0oa0YT
InChI InChI=1S/C13H16O2/c1-3-4-5-10-12-9(6-7-11(12)14)8(2)13(10)15/h9H,2-7H2,1H3
InChIKey ILWALOANMMOJLW-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvwM5rT3JLr
Name 6-Butyl-2,3,3a,4-tetrahydro-4-methylenepentalene-1,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-3-4-5-10-12-9(6-7-11(12)14)8(2)13(10)15/h9H,2-7H2,1H3
InChIKey ILWALOANMMOJLW-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol702654x
Molecular Weight 204.269 g/mol
SMILES C1C(=O)C2=C(C(C(=C)C2C1)=O)CCCC
SPLASH splash10-0uea-0950000000-888fc0ecd4edef246d73
Source of Spectrum A1-10-705/SMS7-4b
Synonyms 6-Butyl-4-methylene-2,3,3a,4-tetrahydropentalene-1,5-dione
Wiley ID 1758974